input word = C00064395

Metabolite InformationStructural formula
Name Tokorogenin
Formula C27H44O5
Mw 448.31887452
CAS RN 547-01-3
C_ID C00064395
InChIKey SRTGQBIWSBCVSM-JYBGDFTBSA-N
InChICode InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)22-21(32-27)12-19-17-6-5-16-11-20(28)23(29)24(30)26(16,4)18(17)8-9-25(19,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20+,21+,22+,23-,24-,25+,26+,27?/m1/s1
SMILES CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)C(O)C5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum arundinaceum Ref.
PlantaeDioscoreaceaeDioscorea tokoro Ref.
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OrganismDioscorea tokoro
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.