input word = C00064392

Metabolite InformationStructural formula
Name Gitoxigenin
Formula C23H34O5
Mw 390.2406242
CAS RN 545-26-6
C_ID C00064392
InChIKey PVAMXWLZJKTXFW-VQMOFDJESA-N
InChICode InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1
SMILES CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeCurcuma longa Ref.
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OrganismCurcuma longa
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.