input word = C00050062

Metabolite InformationStructural formula
Name Dolabelide D
(+)-Dolabelide D
Formula C39H68O11
Mw 712.47616301
CAS RN 185843-01-0
C_ID C00050062 ,
InChIKey VJFQDPJVPBUKKD-NNOOFKTLNA-N
InChICode InChI=1S/C39H68O11/c1-9-12-34(48-29(7)40)19-25(3)20-37-27(5)36(45)23-31(42)14-11-10-13-24(2)15-17-32(43)21-35(49-30(8)41)22-33(44)18-16-26(4)38(46)28(6)39(47)50-37/h13,20,26-28,31-38,42-46H,9-12,14-19,21-23H2,1-8H3/b24-13+,25-20+/t26-,27+,28+,31-,32+,33+,34-,35+,36+,37-,38+/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)O)OC(=O)C)O)\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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