input word = C00010752

Metabolite InformationStructural formula
Name Menthiafolin
Formula C26H36O12
Mw 540.22067662
CAS RN 19351-64-5
C_ID C00010752 ,
InChIKey FPDCQAOWJZHIQX-HDHOBBESNA-N
InChICode InChI=1S/C26H36O12/c1-5-14-15-10-18(36-22(31)13(3)8-7-9-26(4,33)6-2)37-23(32)16(15)12-34-24(14)38-25-21(30)20(29)19(28)17(11-27)35-25/h5-6,8,12,14-15,17-21,24-25,27-30,33H,1-2,7,9-11H2,3-4H3/b13-8+/t14-,15-,17-,18+,19+,20+,21-,24+,25-,26+/m0/s1
SMILES C=CC1C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)OC=C2C(=O)OC(OC(=O)/C(C)=C/CCC(C)(O)C=C)CC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenyanthaceaeMenyanthes trifoliata Ref.
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