input word = C00056217

Metabolite InformationStructural formula
Name Triptersinine Y
Formula C31H36O11
Mw 584.22576199
CAS RN 2222108-41-8
C_ID C00056217
InChIKey ZXGZXWDWBFTBMT-QNXIGQAHSA-N
InChICode InChI=1S/C31H36O11/c1-18(33)39-25-23-24(35)26(41-27(36)20-11-8-16-38-20)30(17-32)21(40-22(34)13-12-19-9-6-5-7-10-19)14-15-29(4,37)31(25,30)42-28(23,2)3/h5-13,16,21,23-26,32,35,37H,14-15,17H2,1-4H3/b13-12+/t21-,23+,24+,25+,26+,29-,30-,31-/m0/s1
SMILES CC(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](OC(=O)c3ccco3)[C@]3(CO)[C@@H](OC(=O)/C=C/c4ccccc4)CC[C@](C)(O)[C@@]13OC2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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