input word = C00063740

Metabolite InformationStructural formula
Name Bryophyllin B
Formula C26H34O9
Mw 490.22028269
CAS RN 125339-13-1
C_ID C00063740
InChIKey IJJFGJIZGZSCBF-JBYNNAELSA-N
InChICode InChI=1S/C26H34O9/c1-13(27)34-19-9-15(28)10-24(31)7-5-17-21-18(35-22(30)26(19,21)24)11-23(2)16(6-8-25(17,23)32)14-3-4-20(29)33-12-14/h3-4,12,15-19,21-22,28,30-32H,5-11H2,1-2H3/t15-,16+,17?,18+,19?,21?,22+,23+,24-,25-,26?/m0/s1
SMILES CC(=O)OC1CC(O)CC2(O)CCC3C4C(CC5(C)C(c6ccc(=O)oc6)CCC35O)OC(O)C142
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeBryophyllum pinnatum Ref.
PlantaeCrassulaceaeKalanchoe gracilis Ref.
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OrganismKalanchoe gracilis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.