input word = C00062445

Metabolite InformationStructural formula
Name 3-[(O-beta-D-Glucopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C34H42O20
Mw 770.22694379
CAS RN 614759-62-5
C_ID C00062445
InChIKey IQTNEFYVOULPIU-AHMZVKSZSA-N
InChICode InChI=1S/C34H42O20/c1-11-28(52-33-26(45)23(42)20(39)17(9-35)50-33)25(44)27(46)32(48-11)54-31-24(43)21(40)18(10-36)51-34(31)53-30-22(41)19-15(38)7-13(37)8-16(19)49-29(30)12-3-5-14(47-2)6-4-12/h3-8,11,17-18,20-21,23-28,31-40,42-46H,9-10H2,1-2H3/t11-,17+,18+,20+,21+,23-,24-,25-,26+,27+,28-,31+,32-,33-,34-/m0/s1
SMILES COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
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