input word = C00005742

Metabolite InformationStructural formula
Name Myricetin 3,7-diglucuronide
Formula C27H26O20
Mw 670.10174328
CAS RN 115473-27-3
C_ID C00005742 ,
InChIKey JONQSBBWXLTYCR-KZHPWOFCNA-N
InChICode InChI=1S/C27H26O20/c28-7-3-6(43-26-18(37)14(33)16(35)22(46-26)24(39)40)4-10-11(7)13(32)21(20(44-10)5-1-8(29)12(31)9(30)2-5)45-27-19(38)15(34)17(36)23(47-27)25(41)42/h1-4,14-19,22-23,26-31,33-38H,(H,39,40)(H,41,42)/t14-,15-,16-,17-,18-,19+,22-,23-,26+,27+/m0/s1
SMILES O=C(O)C1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOnagraceaeOenothera speciosa Ref.
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