(Q105377403)

English

Leonoside B

group of stereoisomers with the chemical formula C₃₆H₄₈O₁₉

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instance of

group of stereoisomers

0 references

1 reference

784.278979316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₈O₁₉

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(OC)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3OC4OCC(O)C(O)C4O)CO)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1ccc(CCOC2OC(CO)C(OC(=O)/C=C/c3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)cc1O

1 reference

1 reference

Ionone, Iridoid and Phenylethanoid Glycosides from Ajuga salicifolia

Identifiers

InChI

InChI=1S/C36H48O19/c1-16-26(42)28(44)33(55-34-29(45)27(43)21(40)15-50-34)36(51-16)54-32-30(46)35(49-11-10-18-5-8-22(47-2)20(39)12-18)52-24(14-37)31(32)53-25(41)9-6-17-4-7-19(38)23(13-17)48-3/h4-9,12-13,16,21,24,26-40,42-46H,10-11,14-15H2,1-3H3/b9-6+

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InChIKey

ZIPURHYPGUGDEP-RMKNXTFCSA-N

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1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

169177

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C36H48O19/c1-16-26(42)28(44)33(55-34-29(45)27(43)21(40)15-50-34)36(51-16)54-32-30(46)35(49-11-10-18-5-8-22(47-2)20(39)12-18)52-24(14-37)31(32)53-25(41)9-6-17-4-7-19(38)23(13-17)48-3/h4-9,12-13,16,21,24,26-40,42-46H,10-11,14-15H2,1-3H3/b9-6+

(Q105377403)

Leonoside B

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