input word = C00053467

Metabolite InformationStructural formula
Name Melianthusigenin
Formula C28H36O8
Mw 500.24101813
CAS RN 27785-98-4
C_ID C00053467
InChIKey RRDZJCCZVWCHID-WAJAMXMFSA-N
InChICode InChI=1S/C28H36O8/c1-16(29)33-15-27-20-6-9-24(2)19(17-4-5-23(30)32-14-17)8-11-28(24,31)21(20)7-10-26(27)13-18-12-22(27)35-25(3,34-18)36-26/h4-5,14,18-22,31H,6-13,15H2,1-3H3/t18-,19+,20-,21+,22+,24+,25?,26-,27-,28-/m0/s1
SMILES CC(=O)OC[C@]12[C@H]3C[C@H]4C[C@]1(CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c5ccc(=O)oc5)CC[C@]12O)OC(C)(O4)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelianthaceaeMelianthus major Ref.
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OrganismMelianthus major
ReferenceBedane, K. G. et al., J. Nat. Prod., https://dx.doi.org/10.1021/acs.jnatprod.0c00060