(Q105199085)

English

[(1R,3R,4S,5S,7R,8R)-4,7-dihydroxy-7-[(1R)-1-hydroxyethyl]-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(3R,4S,7R,8R)-4,7-dihydroxy-7-[(1R)-1-hydroxyethyl]-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trien-1-yl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl acetate

1 reference

based on heuristic

inferred from SMILES

[4,7-Dihydroxy-7-(1-hydroxyethyl)-3-[6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

492.199547224 dalton

1 reference

1 reference

C₂₅H₃₂O₁₀

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canonical SMILES

O=C1OC(C=CC=CC=CC2OC3(C)C(OC(=O)C)C(OC3(O)C(O)C)(C)C2O)=C(C(OC)=C1)C

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isomeric SMILES

COc1cc(=O)oc(/C=C/C=C/C=C/[C@H]2O[C@]3(C)[C@H](OC(C)=O)[C@@](C)(O[C@]3(O)[C@@H](C)O)[C@H]2O)c1C

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found in taxon

Metarhizium anisopliae

1 reference

stated in

Aurovertins F–H from the Entomopathogenic FungusMetarhizium anisopliae(1)

Identifiers

InChI

InChI=1S/C25H32O10/c1-14-17(33-20(28)13-19(14)31-6)11-9-7-8-10-12-18-21(29)23(4)22(32-16(3)27)24(5,34-18)25(30,35-23)15(2)26/h7-13,15,18,21-22,26,29-30H,1-6H3/b8-7+,11-9+,12-10+/t15-,18-,21+,22-,23+,24-,25-/m1/s1

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InChIKey

OSLLNECGPXNXCT-KQDLPPAFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OSLLNECGPXNXCT-KQDLPPAFSA-N

(Q105199085)

[(1R,3R,4S,5S,7R,8R)-4,7-dihydroxy-7-[(1R)-1-hydroxyethyl]-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate

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Identifiers

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