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 C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](C[C@@H]2C)(C[C@@H]([C@@](C1)(CO)C)OC(=O)C)C(=O)O)O)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Trichoereus pachanoi Ref.
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