input word = C00010142

Metabolite InformationStructural formula
Name Orobol 7-O-(6''-malonylglucoside)
Formula C24H22O14
Mw 534.10095541
CAS RN 92632-64-9
C_ID C00010142 ,
InChIKey YMKBDPAXCTWFFC-JYQXBKEGNA-N
InChICode InChI=1S/C24H22O14/c25-12-2-1-9(3-13(12)26)11-7-35-15-5-10(4-14(27)19(15)20(11)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29)/t16-,21+,22-,23+,24+/m0/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc3c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Bryum capillare Ref.
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