input word = C00039765

Metabolite InformationStructural formula
Name Micrandilactone A
(+)-Micrandilactone A
Formula C29H36O12
Mw 576.22067662
CAS RN 524695-87-2
C_ID C00039765 ,
InChIKey GMAMWSYYSPPHAF-XNYXUNTONA-N
InChICode InChI=1S/C29H36O12/c1-11-17-19(37-20(11)33)28(36)21-24(4,22(34)25(28,5)35)6-7-26-10-27-13(23(2,3)38-14(27)9-15(31)39-27)8-12(30)16(26)18(32)29(21,40-17)41-26/h11-14,16-17,19,21,30,35-36H,6-10H2,1-5H3/t11-,12-,13-,14+,16-,17+,19-,21+,24-,25-,26-,27+,28-,29+/m0/s1
SMILES C[C@@H]1C(=O)O[C@H]2[C@@H]1O[C@]13O[C@@]4(CC[C@]5(C)C(=O)[C@](C)(O)[C@@]2(O)[C@H]15)C[C@]12OC(=O)C[C@H]1OC(C)(C)[C@@H]2C[C@H](O)[C@H]4C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra micrantha Ref.
PlantaeSchisandraceaeSchisandra rubriflora Ref.
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OrganismSchisandra micrantha
ReferenceLi, et al., Journal of Natural Products, 67, (2004), 94