input word = C00031808

Metabolite InformationStructural formula
Name Gemmacolide B
(-)-Gemmacolide B
Formula C33H45ClO14
Mw 700.24978386
CAS RN 134887-85-7
C_ID C00031808 ,
InChIKey OJVGXQLUNKMDNO-UHFFFAOYNA-N
InChICode InChI=1S/C33H45ClO14/c1-10-14(2)29(39)47-23-26(44-18(6)36)31(9)21(43-17(5)35)12-11-15(3)22(34)25-33(41,16(4)30(40)48-25)28(46-20(8)38)24(31)32(13-42-32)27(23)45-19(7)37/h14,16,21-28,41H,3,10-13H2,1-2,4-9H3/t14-,16+,21+,22-,23+,24+,25+,26+,27-,28+,31+,32+,33+/m0/s1
SMILES C=C1CCC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(=O)C(C)CC)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.
zoom in



OrganismJunceella juncea
ReferenceQi,Chem.Pharm.Bull.,52,(2004),1476