(Q105159195)

English

(1S,5S,7S)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[(2S)-4-methyl-2-(prop-1-en-2-yl)pent-4-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[4-methyl-2-(prop-1-en-2-yl)pent-4-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

1 reference

based on heuristic

inferred from SMILES

mass

588.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₈O₆

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canonical SMILES

O=C(C1=CC=C(O)C(O)=C1)C=2C(=O)C3(C(=O)C(C2O)(CC(C(=C)C)CC(=C)C)CC(CC=C(C)C)C3(C)C)CC=C(C)C

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isomeric SMILES

C=C(C)C[C@@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C

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found in taxon

Garcinia xanthochymus

1 reference

stated in

Bioactive benzophenones from Garcinia xanthochymus fruits

Identifiers

InChI

InChI=1S/C37H48O6/c1-21(2)11-13-27-20-36(19-26(24(7)8)17-23(5)6)32(41)30(31(40)25-12-14-28(38)29(39)18-25)33(42)37(34(36)43,35(27,9)10)16-15-22(3)4/h11-12,14-15,18,26-27,38-39,41H,5,7,13,16-17,19-20H2,1-4,6,8-10H3/t26-,27-,36-,37+/m0/s1

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InChIKey

LYANWIYDCXVWQE-AAXMREPPSA-N

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(Q105159195)

(1S,5S,7S)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[(2S)-4-methyl-2-(prop-1-en-2-yl)pent-4-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

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