input word = C00032577

Metabolite InformationStructural formula
Name 1,2,3,6-Tetra-O-galloyl-beta-D-glucose
1,2,3,6-tetra-O-Galloyl-beta-D-glucose
Formula C34H38O22
Mw 798.1854729
CAS RN 79886-50-3
C_ID C00032577 ,
InChIKey RATQVALKDAUZBW-JYJSKMCINA-N
InChICode InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1
SMILES O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeCornulaca monacantha Ref.
PlantaeCornaceaeCamptotheca acuminata Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeCrassulaceaeRhodiola sachalinensis Ref.
PlantaeJuglandaceaeJuglans mandshurica Ref.
PlantaePaeoniaceaePaeonia albiflora Ref.
PlantaePaeoniaceaePaeonia lactiflora wild. Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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OrganismPaeonia albiflora
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Saijo, et al., Phytochemistry, 29, (1990), 267.

Hatano, et al., Chem Pharm Bull, 38, (1990), 1224.

Kashiwada, et al., J Pharm Sci, 82, (1993), 487.

Zhang, et al., JNP, 64, (2001), 1527.

ZHANG, et al., Chem Pharm Bull, 50, (2002), 841.

Tanaka, et al., JNP, 66, (2003), 759