input word = C00000311

Metabolite InformationStructural formula
Name Elephantin
Formula C20H22O7
Mw 374.13655306
CAS RN 21899-50-3
C_ID C00000311 ,
InChIKey HSTUUCOYVIWGLJ-PHYNESBBNA-N
InChICode InChI=1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15+,16-,17+,20+/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)CC1=C[C@@H](C[C@]3(C)O[C@H]23)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeElephantopus elatus Ref.
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