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 CCC[C@H](C/C(C)=C/[C@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H](C)CC[C@H](O)C[C@@H](OC(C)=O)C[C@@H](O)CC/C(C)=C/CCC[C@@H](O)C[C@H](O)[C@@H]1C)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--AplysiidaeDolabella auricularia Ref.
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OrganismDolabella auricularia
ReferenceSuenaga,J.Nat.Prod.,60,(1997),155