input word = C00025529

Metabolite InformationStructural formula
Name Papilinine
3'-N-Demethylharappamine
Formula C26H42N2O
Mw 398.32971398
CAS RN 96910-88-2
C_ID C00025529 ,
InChIKey QUEGJCTXFCRAEB-RKJXYOESNA-N
InChICode InChI=1S/C26H42N2O/c1-17(27-5)20-11-13-26(4)22-8-7-21-18(14-19(22)10-12-25(20,26)3)6-9-23-24(21,2)15-29-16-28-23/h10,14,17,20-23,27-28H,6-9,11-13,15-16H2,1-5H3/t17-,20+,21+,22+,23-,24+,25+,26-/m0/s1
SMILES [C@@]12(CC=C3[C@H]([C@@]1(CC[C@@H]2[C@H](C)NC)C)CC[C@@H]1C(=C3)CC[C@H]2[C@]1(C)COCN2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papilosa Ref.
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OrganismBuxus papilosa
ReferenceAtta-ur-Rahman,Z.Naturforsch.,B 40B,(1985),565