input word = C00063295

Metabolite InformationStructural formula
Name (S)-2,3-HHDP-6-O-galloyl-D-glucose
Formula C27H22O18
Mw 634.0806139
CAS RN 88847-10-3
C_ID C00063295
InChIKey HASQDAPNBNQWCZ-UHFFFAOYSA-N
InChICode InChI=1S/C27H22O18/c28-5-15-24(21(37)14(33)6-43-25(40)7-1-10(29)18(34)11(30)2-7)45-27(42)9-4-13(32)20(36)23(39)17(9)16-8(26(41)44-15)3-12(31)19(35)22(16)38/h1-5,14-15,21,24,29-39H,6H2
SMILES O=CC1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C(O)C(O)COC(=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeMyrtaceaePsidium guajava Ref.
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OrganismPunica granatum
Referencehttps://doi.org/10.1248/cpb.34.650