input word = C00004488

Metabolite InformationStructural formula
Name 6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Scutellarein 7-glucuronosyl-(1->2)-glucuronide
5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-Glucopyranosiduronic acid
Formula C27H26O18
Mw 638.11191403
CAS RN 150641-65-9
C_ID C00004488 ,
InChIKey IBLZNWWZRXJQAK-PQDYBWNMNA-N
InChICode InChI=1S/C27H26O18/c28-8-3-1-7(2-4-8)10-5-9(29)13-11(41-10)6-12(14(30)15(13)31)42-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-28,30-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)C(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePerilla ocimoides Ref.
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