input word = C00050061

Metabolite InformationStructural formula
Name Dolabelide C
(+)-Dolabelide C
Formula C43H72O13
Mw 796.49729239
CAS RN 185843-00-9
C_ID C00050061 ,
InChIKey YSRKJBBLDLGINZ-ZOFVECOSNA-N
InChICode InChI=1S/C43H72O13/c1-11-14-36(52-31(7)44)21-27(3)22-41-29(5)40(49)23-35(48)16-13-12-15-26(2)17-19-37(53-32(8)45)24-39(55-34(10)47)25-38(54-33(9)46)20-18-28(4)42(50)30(6)43(51)56-41/h15,22,28-30,35-42,48-50H,11-14,16-21,23-25H2,1-10H3/b26-15+,27-22+/t28-,29+,30+,35-,36-,37+,38+,39+,40+,41-,42+/m1/s1
SMILES C1(=O)O[C@@H]([C@H]([C@H](C[C@@H](CCC/C=C(/CC[C@@H](C[C@@H](C[C@H](CC[C@H]([C@@H]([C@@H]1C)O)C)OC(=O)C)OC(=O)C)OC(=O)C)\C)O)O)C)/C=C(\C)/C[C@H](OC(=O)C)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--AplysiidaeDolabella auricularia Ref.
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