input word = C00038859

Metabolite InformationStructural formula
Name Crambescidic acid
(+)-Crambescidic acid
Formula C38H63N3O6
Mw 657.47168677
CAS RN 866403-34-1
C_ID C00038859 ,
InChIKey FMCTUMJBUUGELW-QHERETLENA-N
InChICode InChI=1S/C38H63N3O6/c1-3-31-21-16-17-25-37(47-31)28-30-23-24-32-34(38(26-19-20-29(2)46-38)40-36(39-37)41(30)32)35(44)45-27-18-14-12-10-8-6-4-5-7-9-11-13-15-22-33(42)43/h16,21,29-32,34H,3-15,17-20,22-28H2,1-2H3,(H,39,40)(H,42,43)/t29-,30+,31+,32-,34-,37+,38-/m0/s1
SMILES C1[C@@H]2N3C(=N[C@@]4([C@@H]([C@@H]3CC2)C(=O)OCCCCCCCCCCCCCCCC(=O)O)CCC[C@@H](O4)C)N[C@]21CCC=C[C@H](O2)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Monanchora dianchora Ref.
--Monanchora unguifera Ref.
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OrganismMonanchora unguifera
ReferenceGallimore,J.Nat.Prod.,68,(2005),1420