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 C1[C@H]2C[C@]34[C@]([C@@H]1O[C@@](O4)(O2)C)([C@@H]1[C@@H](CC3)[C@@]2([C@](C[C@H]1O)([C@H](CC2)c1ccc(=O)oc1)C)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeBryophyllum pinnatum Ref.
PlantaeCrassulaceaeKalanchoe pinnata Ref.
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