input word = C00047477

Metabolite InformationStructural formula
Name Kabiramide B
Formula C47H69N5O14
Mw 927.48410195
CAS RN 101550-94-1
C_ID C00047477 ,
InChIKey SVDMAXBQMZIUPX-YHQKBTMFNA-N
InChICode InChI=1S/C47H69N5O14/c1-26-18-32(65-47(48)58)20-42(57)66-40(21-39(59-8)27(2)14-15-37(55)30(5)43(60-9)28(3)16-17-52(7)25-53)29(4)36(54)12-11-13-41-49-34(23-62-41)45-51-35(24-64-45)46-50-33(22-63-46)44(61-10)31(6)38(56)19-26/h11,13,16-17,22-32,36,38-40,43-44,54,56H,12,14-15,18-21H2,1-10H3,(H2,48,58)/b13-11-,17-16+/t26-,27+,28-,29-,30+,31-,32-,36+,38-,39-,40+,43-,44+/m0/s1
SMILES COC(CC1OC(=O)CC(OC(N)=O)CC(C)CC(O)C(C)C(OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=CCC(O)C1C)C(C)CCC(=O)C(C)C(OC)C(C)/C=C/N(C)C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
AnimaliaHexabranchidaeHexabranchus sanguineus Ref.
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