(Q104971689)

English

(2Z,6E)-9-[(2S)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(2Z,6E)-9-(6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)nona-2,6-dienoic acid

1 reference

based on heuristic

inferred from SMILES

9-(6-Hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid

1 reference

based on heuristic

inferred from SMILES

mass

426.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E,6E)-9-[(2S)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O₄

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canonical SMILES

O=C(O)C(=CCCC(=CCCC1(OC=2C(=CC(O)=CC2CC1)C)C)C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)O

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found in taxon

Iryanthera grandis

1 reference

stated in

Tocotrienols from Iryanthera grandis

Identifiers

InChI

InChI=1S/C27H38O4/c1-19(2)9-6-12-22(26(29)30)13-7-10-20(3)11-8-15-27(5)16-14-23-18-24(28)17-21(4)25(23)31-27/h9,11,13,17-18,28H,6-8,10,12,14-16H2,1-5H3,(H,29,30)/b20-11+,22-13-/t27-/m0/s1

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InChIKey

CWYYWDRQIIFZHK-UATDQJHISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CWYYWDRQIIFZHK-UATDQJHISA-N

(Q104971689)

(2Z,6E)-9-[(2S)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid

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