(Q104399791)

English

Macrophyllin B

group of stereoisomers with the chemical formula C₂₂H₂₈O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

388.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₆

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canonical SMILES

O=C1C2C(O)C(=CC1(OC)C(C)C2C3=CC(OC)=C(OC)C(OC)=C3)CC=C

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isomeric SMILES

C=CCC1=C[C@]2(OC)C(=O)C([C@@H]1O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C

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Identifiers

InChI

InChI=1S/C22H28O6/c1-7-8-13-11-22(28-6)12(2)17(18(19(13)23)21(22)24)14-9-15(25-3)20(27-5)16(10-14)26-4/h7,9-12,17-19,23H,1,8H2,2-6H3/t12-,17+,18?,19-,22-/m1/s1

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InChIKey

NWXSUVZITFIXOL-FXNKJGLGSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NWXSUVZITFIXOL-FXNKJGLGSA-N

1 reference

(Q104399791)

Macrophyllin B

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Identifiers

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