(Q105152502)

English

28-Glucosyl-3b,23-dihydroxy-12,19(29)-ursadien-28-oate 3-arabinoside

group of stereoisomers with the chemical formula C₄₁H₆₄O₁₃

In more languages

Statements

group of stereoisomers

0 references

taraxastane / ursane triterpenoid

1 reference

taraxastane / ursane triterpenoid

764.9406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₄O₁₃

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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)(CO)C6CCC5(C)C4(C)CC2)C

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Identifiers

InChI=1S/C41H64O13/c1-20-9-14-41(36(50)54-35-33(49)31(47)30(46)24(17-42)52-35)16-15-39(5)22(28(41)21(20)2)7-8-26-37(3)12-11-27(53-34-32(48)29(45)23(44)18-51-34)38(4,19-43)25(37)10-13-40(26,39)6/h7,20,23-35,42-49H,2,8-19H2,1,3-6H3

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LJCUOMZSVKPSBW-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

LJCUOMZSVKPSBW-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C41H64O13/c1-20-9-14-41(36(50)54-35-33(49)31(47)30(46)24(17-42)52-35)16-15-39(5)22(28(41)21(20)2)7-8-26-37(3)12-11-27(53-34-32(48)29(45)23(44)18-51-34)38(4,19-43)25(37)10-13-40(26,39)6/h7,20,23-35,42-49H,2,8-19H2,1,3-6H3

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

LJCUOMZSVKPSBW-UHFFFAOYSA-N

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