input word = C00047478

Metabolite InformationStructural formula
Name Kabiramide C
Formula C48H71N5O14
Mw 941.49975201
CAS RN 100045-78-1
C_ID C00047478 ,
InChIKey VDALFVIVHBKWES-QBTFKDRQNA-N
InChICode InChI=1S/C48H71N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-33,38-41,44-45,56H,13,15-16,19-22H2,1-11H3,(H2,49,58)/b14-12-,18-17+/t27-,28+,29+,30+,31+,32-,33-,38+,39-,40+,41+,44-,45-/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(OC)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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