input word = C00003606

Metabolite InformationStructural formula
Name Bryophyllin A
Formula C26H32O8
Mw 472.209718
CAS RN 105608-32-0
C_ID C00003606 ,
InChIKey BMRNQSAXDJQXEL-YZHLKAJONA-N
InChICode InChI=1S/C26H32O8/c1-22-11-18(28)21-17(26(22,30)8-6-16(22)14-3-4-20(29)31-12-14)5-7-24-10-15-9-19(25(21,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15-,16+,17+,18+,19+,21+,22+,23-,24-,25+,26-/m0/s1
SMILES C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4[C@H](O)C[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]5(O)[C@@H]4CC[C@@]1(C3)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeBryophyllum pinnatum Ref.
PlantaeCrassulaceaeKalanchoe gracilis Ref.
PlantaeCrassulaceaeKalanchoe pinnata Ref.
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OrganismKalanchoe pinnata
ReferenceSupratman,Phytochem.,58,(2001),311