input word = C00046404

Metabolite InformationStructural formula
Name Sipholenol D
Formula C30H50O5
Mw 490.36582471
CAS RN 86748-30-3
C_ID C00046404 ,
InChIKey FQTPRZRMUIPDCH-YZQNPCNENA-N
InChICode InChI=1S/C30H50O5/c1-18-19(26(2,3)20-11-15-29(7,33)21(20)17-22(18)31)9-10-23-28(6)14-12-24(32)27(4,5)35-25(28)13-16-30(23,8)34/h20-21,23-25,32-34H,9-17H2,1-8H3/t20-,21-,23-,24-,25-,28-,29-,30+/m1/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(C)(C)[C@@H]2CC[C@@](C)(O)[C@@H]2CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Siphonochalina siphonella Ref.
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