(Q105146114)

English

(3S,4aR,6S)-8-(3,4-dihydroxybenzoyl)-2,2-dimethyl-3,6-bis(3-methylbut-2-enyl)-4a-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-3,4-dihydrochromene-5,7-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-(3,4-Dihydroxybenzoyl)-2,2-dimethyl-3,6-bis(3-methylbut-2-enyl)-4a-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-3,4-dihydrochromene-5,7-dione

1 reference

based on heuristic

inferred from SMILES

mass

602.36073932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₀O₆

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canonical SMILES

O=C(C1=CC=C(O)C(O)=C1)C=2C(=O)C(C(=O)C3(C2OC(C)(C)C(CC=C(C)C)C3)CC(C(=C)C)CC=C(C)C)CC=C(C)C

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isomeric SMILES

C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)OC1=C(C(=O)c1ccc(O)c(O)c1)C(=O)[C@@H](CC=C(C)C)C2=O

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found in taxon

Garcinia mannii

1 reference

stated in

Lactones, flavonoids and benzophenones from Garcinia conrauana and Garcinia mannii

Identifiers

InChI

InChI=1S/C38H50O6/c1-22(2)11-14-27(25(7)8)20-38-21-28(16-12-23(3)4)37(9,10)44-36(38)32(33(41)26-15-18-30(39)31(40)19-26)34(42)29(35(38)43)17-13-24(5)6/h11-13,15,18-19,27-29,39-40H,7,14,16-17,20-21H2,1-6,8-10H3/t27-,28-,29+,38-/m0/s1

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InChIKey

KUESLMSPVYLPDD-FJROBMQKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KUESLMSPVYLPDD-FJROBMQKSA-N

(Q105146114)

(3S,4aR,6S)-8-(3,4-dihydroxybenzoyl)-2,2-dimethyl-3,6-bis(3-methylbut-2-enyl)-4a-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-3,4-dihydrochromene-5,7-dione

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