input word = C00048127

Metabolite InformationStructural formula
Name Siphonellinol E
(-)-Siphonellinol E
Formula C30H52O6
Mw 508.37638939
CAS RN 1169792-88-4
C_ID C00048127 ,
InChIKey JKSNJIROFMMOOT-UXGVUQPWNA-N
InChICode InChI=1S/C30H52O6/c1-19(2)22(36-34)13-16-28(6)21(20(3)9-12-25(28)32)10-11-23-29(7)17-14-24(31)27(4,5)35-26(29)15-18-30(23,8)33/h22-26,31-34H,1,9-18H2,2-8H3/t22-,23-,24-,25+,26-,28-,29-,30-/m0/s1
SMILES [C@@H]1([C@](C(=C(CC1)C)CC[C@H]1[C@]2([C@H](CC[C@]1(C)O)OC([C@H](CC2)O)(C)C)C)(CC[C@@H](C(=C)C)OO)C)O
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