(Q105267050)

English

28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside

group of stereoisomers with the chemical formula C₄₁H₆₄O₁₂

In more languages

Statements

group of stereoisomers

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taraxastane / ursane triterpenoid

1 reference

taraxastane / ursane triterpenoid

748.439777488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₄O₁₂

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C(=C)C3C4=CCC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2)C

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Sanguisorba tenuifolia

1 reference

Triterpenoids from the roots of Sanguisorba tenuifolia var. Alba.

Sanguisorba officinalis

1 reference

Triterpenoids from Sanguisorba officinalis

Sanguisorba tenuifolia var. alba

1 reference

Triterpenoids from the roots of Sanguisorba tenuifolia var. Alba.

Identifiers

InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,20,23-35,42-48H,2,9-19H2,1,3-7H3

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TXWFEKCXGJREKU-UHFFFAOYSA-N

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2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

TXWFEKCXGJREKU-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,20,23-35,42-48H,2,9-19H2,1,3-7H3

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

TXWFEKCXGJREKU-UHFFFAOYSA-N

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