(Q105144670)

English

steppogenin 4'-O-β-D-glucoside

group of stereoisomers with the chemical formula C₂₁H₂₂O₁₁

In more languages

Statements

group of stereoisomers

0 references

1 reference

450.1162115239999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₂O₁₁

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O)C1

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isomeric SMILES

O=C1CC(c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc2O)Oc2cc(O)cc(O)c21

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Identifiers

InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-1-2-10(11(24)5-9)14-6-13(26)17-12(25)3-8(23)4-15(17)31-14/h1-5,14,16,18-25,27-29H,6-7H2/t14?,16?,18-,19+,20?,21-/m1/s1

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KQOMSODFXPHFOP-XIXRQGLNSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

KQOMSODFXPHFOP-XIXRQGLNSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-1-2-10(11(24)5-9)14-6-13(26)17-12(25)3-8(23)4-15(17)31-14/h1-5,14,16,18-25,27-29H,6-7H2/t14?,16?,18-,19+,20?,21-/m1/s1

UniChem compound ID

1 reference

1 reference

KQOMSODFXPHFOP-XIXRQGLNSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

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