(Q115972240)

English

[(7S)-3-[(4R)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl] (E,4S)-2,4-dimethyldec-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-(4-hydroxy-2-methyl-6-oxocyclohex-1-en-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dimethyldec-2-enoate

1 reference

1 reference

496.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₇

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canonical SMILES

O=C(OC1(C(=O)C=C2C=C(OC=C2C1=O)C=3C(=O)CC(O)CC3C)C)C(=CC(C)CCCCCC)C

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isomeric SMILES

CCCCCC[C@H](C)/C=C(\C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(C3=C(C)C[C@@H](O)CC3=O)OC=C2C1=O

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found in taxon

Penicillium simplicissimum

1 reference

stated in

NaBr-Induced Production of Brominated Azaphilones and Related Tricyclic Polyketides by the Marine-Derived Fungus Penicillium janthinellum HK1-6

Penicillium janthinellum

1 reference

stated in

NaBr-Induced Production of Brominated Azaphilones and Related Tricyclic Polyketides by the Marine-Derived Fungus Penicillium janthinellum HK1-6

Penicillium ianthinellum

1 reference

stated in

NaBr-Induced Production of Brominated Azaphilones and Related Tricyclic Polyketides by the Marine-Derived Fungus Penicillium janthinellum HK1-6

Identifiers

InChI

InChI=1S/C29H36O7/c1-6-7-8-9-10-17(2)11-19(4)28(34)36-29(5)25(32)14-20-13-24(35-16-22(20)27(29)33)26-18(3)12-21(30)15-23(26)31/h11,13-14,16-17,21,30H,6-10,12,15H2,1-5H3/b19-11+/t17-,21+,29-/m0/s1

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InChIKey

IOPDDPJESUGXJM-MZLHVQHASA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

IOPDDPJESUGXJM-MZLHVQHASA-N

1 reference

(Q115972240)

[(7S)-3-[(4R)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl] (E,4S)-2,4-dimethyldec-2-enoate

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