input word = C00031807

Metabolite InformationStructural formula
Name Gemmacolide A
(-)-Gemmacolide A
Formula C30H39ClO14
Mw 658.20283367
CAS RN 134887-84-6
C_ID C00031807 ,
InChIKey RVARBBKIGSFITE-UHFFFAOYNA-N
InChICode InChI=1S/C30H39ClO14/c1-12-9-10-19(40-14(3)32)28(8)22(26(44-18(7)36)30(38)13(2)27(37)45-23(30)20(12)31)29(11-39-29)25(43-17(6)35)21(41-15(4)33)24(28)42-16(5)34/h13,19-26,38H,1,9-11H2,2-8H3/t13-,19+,20-,21-,22-,23+,24-,25+,26-,28-,29-,30-/m0/s1
SMILES C=C1CCC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C3(CO3)C2C(OC(C)=O)C2(O)C(C)C(=O)OC2C1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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OrganismJunceella juncea
ReferenceQi,Chem.Pharm.Bull.,52,(2004),1476