Summary
SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(c2C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)OInChI: InChI=1S/C29H32O15/c1-9-16(7-15-18(19(9)32)22(35)13-5-4-12(31)6-14(13)21(15)34)42-29-27(25(38)23(36)17(43-29)8-40-11(3)30)44-28-26(39)24(37)20(33)10(2)41-28/h4-7,10,17,20,23-29,31-33,36-39H,8H2,1-3H3/t10-,17+,20-,23+,24+,25-,26+,27+,28-,29+/m0/s1InChIKey: MYMGMMVFIFXMSB-TUABHHCTSA-N
DeepSMILES: CC=O)OC[C@H]O[C@@H]OcccC=O)cccO)ccc6C=O)c%10cc%14C))O)))))))))))))))[C@@H][C@H][C@@H]6O))O))O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O
Scaffold Graph/Node/Bond level: O=C1c2ccccc2C(=O)c2cc(OC3OCCCC3OC3CCCCO3)ccc21
Scaffold Graph/Node level: OC1C2CCCCC2C(O)C2CC(OC3OCCCC3OC3CCCCO3)CCC12
Scaffold Graph level: CC1C2CCCCC2C(C)C2CC(CC3CCCCC3CC3CCCCC3)CCC12
Functional groups: CO; COC(C)=O; CO[C@H](C)OC; cC(c)=O; cO; cO[C@@H](C)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Anthracenes
ClassyFire Subclass: Anthraquinones
NP Classifier Biosynthetic pathway: Polyketides
NP Classifier Superclass: Polycyclic aromatic polyketides
NP Classifier Class: Anthraquinones and anthrones
Synonymous chemical names:2-methyl-1,3,6-trihydroxy-9,10-anthraquinone 3-o- (6'-o-acetyl)-alpha-rhamnosyl(1->2)-beta-glucoside
External chemical identifiers:CID:70698136; ChEBI:69521; MolPort-046-790-397
Chemical structure download