input word = C00028102

Metabolite InformationStructural formula
Name Criwelline
Formula C18H21NO5
Mw 331.14197279
CAS RN 545-16-4
C_ID C00028102 ,
InChIKey YLWAQARRNQVEHD-APANUXKLNA-N
InChICode InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16-,17-,18+/m0/s1
SMILES c12c(cc3c(c1)OCO3)CO[C@]1([C@@]32[C@H](C[C@H](C=C3)OC)N(C1)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAmaryllidaceaeCrinum delagoense Ref.
PlantaeAmaryllidaceaeHymenocallis cayamansis Ref.
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