input word = C00050180

Metabolite InformationStructural formula
Name Pachanol A
(-)-Pachanol A
Formula C30H44O4
Mw 468.32395989
CAS RN 152344-02-0
C_ID C00050180 ,
InChIKey JSNCLYJIPUAGQE-UHFFFAOYNA-N
InChICode InChI=1S/C30H44O4/c1-17-13-30-15-23(34-25(30)33)27(4,16-31)14-19(30)18-7-8-21-28(5)12-10-22(32)26(2,3)20(28)9-11-29(21,6)24(17)18/h7,19-23,31-32H,8-16H2,1-6H3/t19-,20-,21+,22+,23-,27-,28+,29-,30+/m0/s1
SMILES C1[C@H](C([C@H]2[C@@](C1)([C@@H]1[C@](CC2)(C2=C(C[C@]34[C@H](C2=CC1)C[C@]([C@H](C3)OC4=O)(CO)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Trichoereus pachanoi Ref.
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