input word = C00038676

Metabolite InformationStructural formula
Name Cacospongin D
Formula C27H38O3
Mw 410.28209508
CAS RN 325691-45-0
C_ID C00038676 ,
InChIKey QQJLPYXRXOCODZ-ZQYJZOSASA-N
InChICode InChI=1S/C27H38O3/c1-19(11-13-22-18-23(26(29)30)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-27(24,4)5/h9,11,14,16,18,28H,6-8,10,12-13,15,17H2,1-5H3,(H,29,30)/b19-11+,20-9+
SMILES c1(C/C=C(/CC/C=C(/CCC2=C(CCCC2(C)C)C)\C)\C)c(ccc(c1)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cacospongia sp. Ref.
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