input word = C00024853

Metabolite InformationStructural formula
Name Contorine
Formula C31H35NO7
Mw 533.24135248
CAS RN 144398-38-9
C_ID C00024853 ,
InChIKey ZYAZOLHJSNQEDA-UHFFFAOYNA-N
InChICode InChI=1S/C31H35NO7/c1-15-11-30-12-20(34)25-29(3)14-32(4)26-23(30)24(35)19(15)10-22(30)31(25,26)13-21(38-16(2)33)27(29)39-28(36)17-6-8-18(37-5)9-7-17/h6-9,19,21-23,25-27H,1,10-14H2,2-5H3/t19-,21+,22+,23+,25+,26+,27-,29-,30+,31+/m0/s1
SMILES [C@H]12C(=O)[C@@H]3[C@@H]4[C@]56[C@H](C(=O)C[C@@]3([C@H]6C1)CC2=C)[C@@]([C@H]([C@@H](C5)OC(=O)C)OC(=O)c1ccc(cc1)OC)(CN4C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum contortum Ref.
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