input word = C00001568

Metabolite InformationStructural formula
Name Cavinine
Formula C18H21NO6
Mw 347.13688741
CAS RN 58189-38-1
C_ID C00001568 ,
InChIKey GKZWOVRDMISXTE-CCWXJBHCNA-N
InChICode InChI=1S/C18H21NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12-13,16-17,20H,4-7H2,1-2H3/t10-,12-,13-,16+,17+,18+/m1/s1
SMILES COc1c2c(cc3c1OCO3)[C@@]13[C@H](O)C[N@@](C2)[C@@H]1C[C@@H](OC)[C@@H]1O[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeAmaryllidaceaeHippeastrum punecium Ref.
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OrganismHippeastrum punecium
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter17