input word = C00048121

Metabolite InformationStructural formula
Name Sipholenol J
(-)-Sipholenol J
Formula C30H50O5
Mw 490.36582471
CAS RN 1169792-78-2
C_ID C00048121 ,
InChIKey MHHGQQXZBFDTSD-HNTYBFRPNA-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/h9,18,20,22-25,32-34H,10-17H2,1-8H3/b19-9-/t18-,20-,22-,23-,24-,25+,28-,29-,30-/m0/s1
SMILES C[C@@H]1C(=O)C[C@H]2[C@@H](/C1=CC[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@]1(C)O)C(C)(C)CC[C@]2(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Callyspongia siphonella Ref.
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