input word = C00056261

Metabolite InformationStructural formula
Name Triptregeline H
Formula C32H37NO11
Mw 611.23666103
CAS RN 2197992-91-7
C_ID C00056261
InChIKey UWBKIURRNRYKAN-OWFKIMCMSA-N
InChICode InChI=1S/C32H37NO11/c1-18(34)40-17-31-22(42-27(37)20-10-7-6-8-11-20)13-14-30(5,39)32(31)25(41-19(2)35)23(29(3,4)44-32)24(36)26(31)43-28(38)21-12-9-15-33-16-21/h6-12,15-16,22-26,36,39H,13-14,17H2,1-5H3/t22-,23+,24+,25+,26+,30-,31-,32-/m0/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](O)[C@H]2OC(=O)c1cccnc1)[C@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
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