input word = C00048122

Metabolite InformationStructural formula
Name Sipholenol K
(-)-Sipholenol K
Formula C30H50O5
Mw 490.36582471
CAS RN 1169792-80-6
C_ID C00048122 ,
InChIKey AJXZQEWVCRNBOL-RRFJWOHENA-N
InChICode InChI=1S/C30H50O5/c1-18-19(25-20(17-21(18)31)29(7,33)16-15-26(25,2)3)9-10-22-28(6)13-11-23(32)27(4,5)35-24(28)12-14-30(22,8)34/h20,22-25,32-34H,9-17H2,1-8H3/t20-,22-,23-,24-,25+,28-,29-,30-/m0/s1
SMILES CC1=C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@]2(C)O)[C@@H]2[C@H](CC1=O)[C@@](C)(O)CCC2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Callyspongia siphonella Ref.
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OrganismCallyspongia siphonella
ReferenceJain,J.Nat.Prod.,72,(2009),1291