input word = C00008715

Metabolite InformationStructural formula
Name Huangqioside E
Formula C27H32O16
Mw 612.16903498
CAS RN 138822-69-2
C_ID C00008715 ,
InChIKey QRVGJSHXWIIHPI-PVZKHFEPNA-N
InChICode InChI=1S/C27H32O16/c1-8-17(33)24(42-26-21(37)20(36)18(34)15(7-28)41-26)22(38)27(39-8)43-25-19(35)16-13(32)5-10(29)6-14(16)40-23(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-34,36-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,24+,25+,26-,27-/m0/s1
SMILES CC1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@@H](O)C(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJuglandaceaeEngelhardtia chrysolepis Ref.
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