1.0
2019-08-26 16:59:20 UTC
2019-11-26 03:24:12 UTC
FDB093471
7,8-dimethoxy-2,4-dihydroxy-1,4-benzoxazin-3-one (DIM2BOA)
C10H11NO6
241.1974
241.058637089
COC1=C(OC)C2=C(C=C1)N(O)C(=O)C(O)O2
InChI=1S/C10H11NO6/c1-15-6-4-3-5-7(8(6)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3
VBXNJRCPOOQJML-UHFFFAOYSA-N
belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
Benzoxazinones
Organic compounds
Organoheterocyclic compounds
Benzoxazines
Benzoxazinones
Aromatic heteropolycyclic compounds
Alkyl aryl ethers
Anisoles
Azacyclic compounds
Benzomorpholines
Carbonyl compounds
Hemiacetals
Hydrocarbon derivatives
Hydroxamic acids
Organic oxides
Organonitrogen compounds
Organopnictogen compounds
Oxacyclic compounds
Alkyl aryl ether
Anisole
Aromatic heteropolycyclic compound
Azacycle
Benzenoid
Benzomorpholine
Benzoxazinone
Carbonyl group
Carboxylic acid derivative
Ether
Hemiacetal
Hydrocarbon derivative
Hydroxamic acid
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Oxacycle
Oxazinane
average_mass
241.1974
mono_mass
241.058637089
smiles
COC1=C(OC)C2=C(C=C1)N(O)C(=O)C(O)O2
formula
C10H11NO6
inchi
InChI=1S/C10H11NO6/c1-15-6-4-3-5-7(8(6)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3
inchikey
VBXNJRCPOOQJML-UHFFFAOYSA-N
Specdb::CMs
19672
Specdb::CMs
45452
Specdb::CMs
148790
Specdb::NmrOneD
141650
Specdb::NmrOneD
141651
Specdb::NmrOneD
141652
Specdb::NmrOneD
141653
Specdb::NmrOneD
141654
Specdb::NmrOneD
141655
Specdb::NmrOneD
141656
Specdb::NmrOneD
141657
Specdb::NmrOneD
141658
Specdb::NmrOneD
141659
Specdb::NmrOneD
141660
Specdb::NmrOneD
141661
Specdb::NmrOneD
141662
Specdb::NmrOneD
141663
Specdb::NmrOneD
141664
Specdb::NmrOneD
141665
Specdb::NmrOneD
141666
Specdb::NmrOneD
141667
Specdb::NmrOneD
141668
Specdb::NmrOneD
141669
Specdb::MsMs
48198
Specdb::MsMs
48199
Specdb::MsMs
48200
Specdb::MsMs
116340
Specdb::MsMs
116341
Specdb::MsMs
116342
Specdb::MsMs
2391604
Specdb::MsMs
2391605
Specdb::MsMs
2391606
Specdb::MsMs
2570600
Specdb::MsMs
2570601
Specdb::MsMs
2570602
Amaranth
Type 1
specific
Amaranthus
3564
Annual wild rice
Type 1
specific
Zizania aquatica
75727
Barley
Type 1
specific
Hordeum vulgare
4513
Breakfast cereal
Type 2
specific
Bulgur
Type 2
specific
Cereals and cereal products
Unknown
generic
Common buckwheat
Type 1
specific
Fagopyrum esculentum
3617
Common wheat
Type 1
specific
Triticum aestivum
4565
Corn
Type 1
specific
Zea mays
4577
Flour
Type 2
specific
Hard wheat
Type 1
specific
Triticum durum
4567
Millet
Type 1
specific
Panicum miliaceum
4540
Oat
Type 1
specific
Avena sativa
4498
Oriental wheat
Type 1
specific
Triticum turanicum
376534
Quinoa
Type 1
specific
Chenopodium quinoa
63459
Red rice
Type 1
specific
Oryza rufipogon
4529
Rice
Type 1
specific
Oryza sativa
4530
Rye
Type 1
specific
Secale cereale
4550
Sorghum
Type 1
specific
Sorghum bicolor
4558
Soy bean
Type 1
specific
Glycine max
3847
Spelt
Type 1
specific
Triticum spelta
58933
Tartary buckwheat
Type 1
specific
Fagopyrum tataricum
62330
Teff
Type 1
specific
Eragrostis tef
110835
Triticale
Type 1
specific
X Triticosecale rimpaui
Wheat
Type 1
specific
Triticum
4564
Wild rice
Type 1
specific
Zizania
15949