input word = C00056215

Metabolite InformationStructural formula
Name Triptersinine W
Formula C33H38O12
Mw 626.23632668
CAS RN 2222108-39-4
C_ID C00056215
InChIKey MLVFUJVXOZOGBN-AARJDNJSSA-N
InChICode InChI=1S/C33H38O12/c1-19(34)41-18-32-23(43-24(36)14-13-21-10-7-6-8-11-21)15-16-31(5,39)33(32)27(37)25(30(3,4)45-33)26(42-20(2)35)28(32)44-29(38)22-12-9-17-40-22/h6-14,17,23,25-28,37,39H,15-16,18H2,1-5H3/b14-13+/t23-,25+,26+,27?,28+,31-,32-,33+/m0/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)CC[C@](C)(O)C13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1ccco1)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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