input word = C00049088

Metabolite InformationStructural formula
Name 3-Epicyclomusalenol
Formula C30H50O
Mw 426.38616622
CAS RN 207850-20-2
C_ID C00049088 ,
InChIKey QCGMIFBWAQSUQY-HWLNVYFMNA-N
InChICode InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-26,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,26-,27+,28-,29+,30-/m0/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H](CC4)[C@@H](CC[C@H](C)C(=C)C)C)C)C)CC[C@@H]1[C@@]2(CC[C@H]([C@H]1C)O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMusaceaeMusa sapientum L. Ref.
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