input word = C00025830

Metabolite InformationStructural formula
Name Crassanine
(all-xi)-Conopharyngine oxindole,
Formula C23H30N2O5
Mw 414.21547208
CAS RN 16790-92-4
C_ID C00025830 ,
InChIKey WSANFVMOMGTHSN-UHFFFAOYNA-N
InChICode InChI=1S/C23H30N2O5/c1-5-14-8-13-11-23(21(27)30-4)19(14)25(12-13)7-6-22(23)15-9-17(28-2)18(29-3)10-16(15)24-20(22)26/h9-10,13-14,19H,5-8,11-12H2,1-4H3,(H,24,26)/t13-,14+,19+,22-,23-/m1/s1
SMILES [C@@H]12CN3CC[C@]4(c5c(cc(c(c5)OC)OC)NC4=O)[C@@]([C@@H]3[C@H](C1)CC)(C2)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana crassa Benth. Ref.
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