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CHEBI:191762 - 3-O-alpha-L-Arabinopyranosylcinnamtannin B1
| Formula | C50H44O22 |
| Net Charge | 0 |
| Average Mass | 996.880 |
| Monoisotopic Mass | 996.23242 |
| SMILES | Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3C2C1OC1OCC(O)C(O)C1O)OC(c1ccc(O)c(O)c1)C(O)C4c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2 |
| InChI | InChI=1S/C50H44O22/c51-19-10-28(59)35-33(11-19)71-50(18-3-6-23(54)27(58)9-18)48(70-49-43(66)41(64)32(63)15-67-49)40(35)38-34(72-50)14-30(61)37-39(42(65)45(69-47(37)38)17-2-5-22(53)26(57)8-17)36-29(60)13-24(55)20-12-31(62)44(68-46(20)36)16-1-4-21(52)25(56)7-16/h1-11,13-14,31-32,39-45,48-49,51-66H,12,15H2 |
| InChIKey | QWIMQWJUSBZQGZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) | ||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-O-alpha-L-Arabinopyranosylcinnamtannin B1 (CHEBI:191762) is a flavonoid oligomer (CHEBI:72720) |
| IUPAC Name |
|---|
| 5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-21-(3,4,5-trihydroxyoxan-2-yl)oxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0039863 | HMDB |