input word = C00059879

Metabolite InformationStructural formula
Name Methyl 3,5-dicaffeoylquinate
Formula C26H26O12
Mw 530.1424263
CAS RN 141545-93-9
C_ID C00059879
InChIKey VEBNYMXKXIIGFX-LUHVKKMXSA-N
InChICode InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/t20-,21-,24-,26+/m1/s1
SMILES COC(=O)C1(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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OrganismArtemisia annua
Referencehttps://doi.org/10.4268/cjcmm20142423