input word = C00050371

Metabolite InformationStructural formula
Name Isofurospongin 2
Formula C21H26O3
Mw 326.1881947
CAS RN 35671-04-6
C_ID C00050371 ,
InChIKey HAETXMBDLLFIOV-GDZIOOATSA-N
InChICode InChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,14-16H,3-4,6-8,13H2,1-2H3/b17-5+,18-14-
SMILES c1(CCC/C(=C\C(=O)C/C(=C/CCc2ccoc2)/C)/C)cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia officinalis Ref.
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OrganismSpongia officinalis
ReferenceGarrido,J.Nat.Prod.,60,(1997),794