input word = C00059075

Metabolite InformationStructural formula
Name 3,4',5,7-Tetrahydroxy-3',8-dimethoxy-flavone 3-beta-D-glucoside, heptaacetate
Formula C37H38O20
Mw 802.19564366
CAS RN 106198-08-7
C_ID C00059075
InChIKey HJHDKQOVAYIZPX-OWNQTDTCSA-N
InChICode InChI=1S/C37H38O20/c1-15(38)48-14-27-32(52-19(5)42)35(53-20(6)43)36(54-21(7)44)37(55-27)57-34-29(45)28-25(50-17(3)40)13-26(51-18(4)41)31(47-9)33(28)56-30(34)22-10-11-23(49-16(2)39)24(12-22)46-8/h10-13,27,32,35-37H,14H2,1-9H3/t27-,32-,35+,36-,37+/m1/s1
SMILES COc1cc(-c2oc3c(OC)c(OC(C)=O)cc(OC(C)=O)c3c(=O)c2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)ccc1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus limon Ref.
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