input word = C00050182

Metabolite InformationStructural formula
Name Pachanol C
Formula C32H50O7
Mw 546.35565395
CAS RN 172923-92-1
C_ID C00050182 ,
InChIKey QPKMIXTXEBVQCZ-VOZMSVOUNA-N
InChICode InChI=1S/C32H50O7/c1-18-14-31(26(36)37)16-25(39-19(2)34)28(5,17-33)15-21(31)20-8-9-23-29(6)12-11-24(35)27(3,4)22(29)10-13-30(23,7)32(18,20)38/h8,18,21-25,33,35,38H,9-17H2,1-7H3,(H,36,37)/t18-,21+,22-,23+,24-,25-,28-,29-,30+,31+,32-/m0/s1
SMILES CC(=O)O[C@H]1C[C@]2(C(=O)O)C[C@H](C)[C@]3(O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2CC1(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Trichoereus pachanoi Ref.
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