input word = C00061780

Metabolite InformationStructural formula
Name 3-[(O-beta-D-Glucopyranosyl-(1->2)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O20
Mw 756.21129372
CAS RN 429692-33-1
C_ID C00061780
InChIKey IHHNTKHKNTWIQZ-IAJDIXNTSA-N
InChICode InChI=1S/C33H40O20/c1-10-19(38)25(44)30(53-31-26(45)23(42)20(39)16(8-34)50-31)33(48-10)47-9-17-21(40)24(43)27(46)32(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23-,24-,25+,26+,27+,30+,31-,32-,33+/m0/s1
SMILES CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
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