input word = C00059618

Metabolite InformationStructural formula
Name 3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C34H42O20
Mw 770.22694379
CAS RN 130942-81-3
C_ID C00059618
InChIKey MCPOCJDUBGVQPQ-AKKJCVJKSA-N
InChICode InChI=1S/C34H42O20/c1-10-20(38)24(42)27(45)32(48-10)50-13-7-15(37)19-17(8-13)51-29(12-4-5-14(36)16(6-12)47-3)30(23(19)41)53-34-31(26(44)21(39)11(2)49-34)54-33-28(46)25(43)22(40)18(9-35)52-33/h4-8,10-11,18,20-22,24-28,31-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22+,24+,25-,26+,27+,28+,31+,32-,33-,34-/m0/s1
SMILES COc1cc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum sarmentosum Ref.
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