input word = C00045710

Metabolite InformationStructural formula
Name Cacofuran A
(-)-Cacofuran A
Formula C22H32O4
Mw 360.23005951
CAS RN 383413-07-8
C_ID C00045710 ,
InChIKey HOUBMYFLCZPEKT-CNDCCQKGNA-N
InChICode InChI=1S/C22H32O4/c1-15(23)26-17(12-16-7-11-24-13-16)19-21(4)10-6-18-20(2,3)8-5-9-22(18,19)14-25-21/h7,11,13,17-19H,5-6,8-10,12,14H2,1-4H3/t17-,18-,19+,21-,22+/m0/s1
SMILES CC(=O)O[C@@H](Cc1ccoc1)C1[C@@]23CCCC(C)(C)[C@@H]2CC[C@]1(C)OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cacospongia sp. Ref.
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OrganismCacospongia sp.
ReferenceTanaka,J.Nat.Prod.,64,(2001),1468