(Q105251199)

English

(6R)-3,5-dihydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-methyl-2-[(2R)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3,5-Dihydroxy-4-[(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl)methyl]-6-methyl-2-(2-methylbutanoyl)-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

1 reference

based on heuristic

inferred from SMILES

mass

444.28757438 dalton

1 reference

1 reference

C₂₇H₄₀O₅

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canonical SMILES

O=C(C1=C(O)C(=C(O)C(C1=O)(C)CC=C(C)C)CC2C(C(=C)C)CCC2(O)C)C(C)CC

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isomeric SMILES

C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@H](C)CC)=C1O

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found in taxon

Cratoxylum cochinchinense

1 reference

stated in

Antimicrobial Compounds, Chinesin I and II from Flowers ofHypericum chinenseL.

Hypericum chinense

1 reference

stated in

Antimicrobial Compounds, Chinesin I and II from Flowers ofHypericum chinenseL.

Hypericum monogynum

1 reference

stated in

Antimicrobial Compounds, Chinesin I and II from Flowers ofHypericum chinenseL.

Hypericum japonicum

1 reference

stated in

Antimicrobial Compounds, Chinesin I and II from Flowers ofHypericum chinenseL.

Identifiers

InChI

InChI=1S/C27H40O5/c1-9-17(6)22(28)21-23(29)19(14-20-18(16(4)5)11-13-27(20,8)32)24(30)26(7,25(21)31)12-10-15(2)3/h10,17-18,20,29-30,32H,4,9,11-14H2,1-3,5-8H3/t17-,18-,20-,26-,27+/m1/s1

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InChIKey

SEHZNEFMBPPMQP-LQVOSMOHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SEHZNEFMBPPMQP-LQVOSMOHSA-N

(Q105251199)

(6R)-3,5-dihydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-methyl-2-[(2R)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

Statements

Identifiers

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