(Q105107167)

English

6-[(1E,3E,5E)-6-[(2R,3S,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

6-[6-(2-Ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

418.1991533 dalton

1 reference

2 references

inferred from InChIKey

1 reference

inferred from InChIKey

1 reference

C₂₃H₃₀O₇

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canonical SMILES

O=C1OC(C=CC=CC=CC2OC3OC(CC)C(O)(C)C3(C)C2O)=C(C(OC)=C1)C

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isomeric SMILES

CC[C@H]1O[C@@H]2O[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@]1(C)O

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found in taxon

Aspergillus ochraceopetaliformis

2 references

stated in

Antiviral Merosesquiterpenoids Produced by the Antarctic Fungus Aspergillus ochraceopetaliformis SCSIO 05702.

stated in

X-Ray crystal structure of asteltoxin, a novel mycotoxin from aspergillus stellatus curzi

Aspergillus stellatus

5 references

stated in

Antiviral Merosesquiterpenoids Produced by the Antarctic Fungus Aspergillus ochraceopetaliformis SCSIO 05702.

stated in

X-Ray crystal structure of asteltoxin, a novel mycotoxin from aspergillus stellatus curzi

stated in

Application of 18O induced isotope effects in 13C n.m.r. spectroscopy to the biosynthesis of asteltoxin

stated in

Biosynthesis of asteltoxin by cultures of Emericella variecolor. The role of propionate in the biosynthesis and evidence for a 1,2-bond migration in the formation of the bistetrahydrofuran moiety

stated in

X-Ray crystal structure of asteltoxin, a novel mycotoxin from aspergillus stellatus curzi

Aspergillus insulicola

1 reference

stated in

Insulicolide A: A New Nitrobenzoyloxy-Substituted Sesquiterpene from the Marine FungusAspergillusinsulicola

Identifiers

InChI

InChI=1S/C23H30O7/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7+,11-9+,12-10+/t16-,18-,20+,21+,22+,23-/m1/s1

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InChIKey

GPXPJKFETRLRAS-GQNCYYLESA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105107167)

6-[(1E,3E,5E)-6-[(2R,3S,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one

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