input word = C00043538

Metabolite InformationStructural formula
Name Gemmacolide C
Formula C28H37ClO12
Mw 600.19735436
CAS RN 134887-86-8
C_ID C00043538 ,
InChIKey MDILJZNWKHVGLR-UHFFFAOYNA-N
InChICode InChI=1S/C28H37ClO12/c1-12-8-9-18(37-14(3)30)26(7)19(38-15(4)31)10-20(39-16(5)32)27(11-36-27)22(26)24(40-17(6)33)28(35)13(2)25(34)41-23(28)21(12)29/h13,18-24,35H,1,8-11H2,2-7H3/t13-,18+,19-,20+,21-,22+,23+,24+,26+,27+,28-/m0/s1
SMILES C=C1CCC(OC(C)=O)C2(C)C(OC(C)=O)CC(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
--Ellisella sp. Ref.
--Junceella juncea Ref.
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