input word = C00059973

Metabolite InformationStructural formula
Name 3-[[6-O-(2-Carboxyacetyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C24H22O14
Mw 534.10095541
CAS RN 1456525-30-6
C_ID C00059973
InChIKey XEXCLTHHXIWUHO-YYYZAYPPSA-N
InChICode InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18+,20+,21-,24+/m1/s1
SMILES O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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