input word = C00029136

Metabolite InformationStructural formula
Name Tolytoxin 23-acetate
Formula C48H77NO14
Mw 891.53440618
CAS RN 206052-52-0
C_ID C00029136 ,
InChIKey XRFUHBYDYDAOID-COJJAMOBNA-N
InChICode InChI=1S/C48H77NO14/c1-29-17-20-44(54)63-47(34(6)46(61-35(7)51)30(2)18-19-38(52)32(4)45(59-13)31(3)21-22-49(8)28-50)33(5)40(55-9)26-43(58-12)48(27-60-48)42(57-11)25-37-16-14-15-36(62-37)24-41(56-10)39(53)23-29/h14-15,17,20-23,28,30-34,36-37,39-43,45-47,53H,16,18-19,24-27H2,1-13H3/b20-17+,22-21+,29-23+/t30-,31-,32+,33-,34-,36-,37-,39-,40+,41+,42-,43-,45+,46-,47-,48+/m0/s1
SMILES C1=C[C@@H]2O[C@@H](C1)C[C@@H]([C@]1([C@H](C[C@H]([C@@H]([C@H](OC(=O)/C=C/C(=C/[C@@H]([C@@H](C2)OC)O)/C)[C@H]([C@H]([C@H](CCC(=O)[C@H]([C@H](OC)[C@@H](C)/C=C/N(C)C=O)C)C)OC(=O)C)C)C)OC)OC)OC1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAglajidaePhilinopsis speciosa Ref.
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