Summary
SMILES: OC[C@H]1O[C@@H](O[C@H]2Oc3cc(OC)ccc3N(C2=O)O)[C@@H]([C@H]([C@@H]1O)O)OInChI: InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15-/m1/s1InChIKey: WTGXAWKVZMQEDA-XFWGRBSCSA-N
DeepSMILES: OC[C@H]O[C@@H]O[C@H]OcccOC))ccc6NC%10=O))O)))))))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: O=C1Nc2ccccc2OC1OC1CCCCO1
Scaffold Graph/Node level: OC1NC2CCCCC2OC1OC1CCCCO1
Scaffold Graph level: CC1CC2CCCCC2CC1CC1CCCCC1
Functional groups: CO; CO[C@H](C)O[C@H]1OccN(O)C1=O; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Alkaloids
Synonymous chemical names:(2r)-β-d-glucopyranosyloxy-4-hydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one, 2-(2,4-dihydroxy-1,4(2h)-benzoxazin-3(4h)-on-beta-d-glucoside, 2-(2,4-dihydroxy-7-methoxy-1-4(2h)-benzoxazin-3-(4h)on)-beta-d-glucoside, 2-(2-hydroxy-4,7-dimethoxy-1-4(2h)-benzoxazin-3-one-beta-d-glucoside, 2-(2-hydroxy-7-methoxy-1,4(2h)-benzoxazin-3(4h)-on-beta-d-glucoside
External chemical identifiers:CID:441563; ChEMBL:CHEMBL519905; ChEBI:37573
Chemical structure download