input word = C00003273

Metabolite InformationStructural formula
Name Euparotin acetate
Formula C22H26O8
Mw 418.16276781
CAS RN 10215-89-1
C_ID C00003273 ,
InChIKey RGPNOZYPJYBPCP-FURFOAEHNA-N
InChICode InChI=1S/C22H26O8/c1-6-10(2)19(24)29-15-8-21(9-27-21)17-14(28-13(5)23)7-11(3)22(17,26)18-16(15)12(4)20(25)30-18/h6-7,14-18,26H,4,8-9H2,1-3,5H3/b10-6-/t14-,15+,16+,17-,18-,21-,22+/m0/s1
SMILES [C@@H]12[C@@]([C@@H]3[C@@H]([C@@H](C[C@]41OC4)OC(=O)/C(=C\C)/C)C(=C)C(=O)O3)(C(=C[C@@H]2OC(=O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium rotundifolium Ref.
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