input word = C00029162

Metabolite InformationStructural formula
Name Ulapualide A
Formula C46H64N4O13
Mw 880.44698816
CAS RN 100045-73-6
C_ID C00029162 ,
InChIKey LVCVJHOYJVOSGI-MUXPNQLYNA-N
InChICode InChI=1S/C46H64N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-31,34,39-41,44,54H,10,12-14,16-17,20-22H2,1-9H3/b15-11-,19-18+/t27-,28+,29-,30-,31+,34-,39-,40-,41-,44+/m0/s1
SMILES CO[C@H]1C/C=Cc2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](C)CC(=O)CCC[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
AnimaliaHexabranchidaeHexabranchus sanguineus Ref.
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OrganismHexabranchus sanguineus
ReferenceChattopadhyay,J.Chem.Soc.Perkin Trans.,1,(2000),2415