input word = C00048711

Metabolite InformationStructural formula
Name Exiguolide
(-)-Exiguolide
Formula C34H48O8
Mw 584.33491851
CAS RN 882854-59-3
C_ID C00048711 ,
InChIKey ZSZWFYKJMCEGCH-VGHHDIMINA-N
InChICode InChI=1S/C34H48O8/c1-23(17-32(35)38-4)10-7-6-8-13-31-25(3)15-14-24(2)16-27-11-9-12-28(40-27)21-29-18-26(20-33(36)39-5)19-30(41-29)22-34(37)42-31/h6-8,10,13-15,20,24-25,27-31H,9,11-12,16-19,21-22H2,1-5H3/b7-6-,13-8+,15-14-,23-10+,26-20-/t24-,25-,27+,28-,29+,30-,31-/m0/s1
SMILES C1C[C@H]2O[C@@H](C1)C[C@@H]1O[C@@H](C/C(=C\C(=O)OC)/C1)CC(=O)O[C@H]([C@H](/C=C\[C@@H](C2)C)C)/C=C/C=C\C=C(/C)\CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGeodiidaeGeodia exigua Ref.
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OrganismGeodia exigua
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165