input word = C00010144

Metabolite InformationStructural formula
Name Pratensein 7-O-(6''-malonylglucoside)
Formula C25H24O14
Mw 548.11660548
CAS RN 92632-65-0
C_ID C00010144 ,
InChIKey PCJAYYSRZUYRCY-VXIRVXPGNA-N
InChICode InChI=1S/C25H24O14/c1-35-15-3-2-10(4-13(15)26)12-8-36-16-6-11(5-14(27)20(16)21(12)31)38-25-24(34)23(33)22(32)17(39-25)9-37-19(30)7-18(28)29/h2-6,8,17,22-27,32-34H,7,9H2,1H3,(H,28,29)/t17-,22+,23-,24+,25+/m0/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(c(c2)O)OC)c(c1)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)CC(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Bryum capillare Ref.
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