(Q104908589)

English

[(2R,2aS,4aS,7aR,7bR)-2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

13-Hydroxydihydromelleolide

1 reference

based on heuristic

inferred from SMILES

mass

418.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

13-Hydroxy-Dihydromelleolide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₀O₇

0 references

canonical SMILES

O=C(OC1CC2(C)C3CC(C)(C)CC3(O)C=C(CO)C12O)C=4C(O)=CC(O)=CC4C

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isomeric SMILES

Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@]3(O)C=C(CO)[C@]12O

0 references

found in taxon

Armillaria mellea

1 reference

stated in

Sesquiterpene aryl esters from Armillaria mellea

Identifiers

InChI

InChI=1S/C23H30O7/c1-12-5-14(25)6-15(26)18(12)19(27)30-17-9-21(4)16-8-20(2,3)11-22(16,28)7-13(10-24)23(17,21)29/h5-7,16-17,24-26,28-29H,8-11H2,1-4H3/t16-,17-,21-,22-,23+/m1/s1

0 references

InChIKey

ABFOJGYAILKEJB-FEBQYDHISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ABFOJGYAILKEJB-FEBQYDHISA-N

(Q104908589)

[(2R,2aS,4aS,7aR,7bR)-2a,4a-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate

Statements

Identifiers

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