(Q105000837)

English

(2R,5S,10R)-6,10-Dimethyl-2-[(S)-1-hydroxy-1-methyl-2-(beta-D-glucopyranosyloxy)ethyl]spiro[4.5]deca-6-ene-8-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside

1 reference

based on heuristic

inferred from SMILES

mass

414.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,5S,6S)-3-[(2R)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-9-en-8-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₈

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canonical SMILES

O=C1C=C(C)C2(CCC(C2)C(O)(C)COC3OC(CO)C(O)C(O)C3O)C(C)C1

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isomeric SMILES

CC1=CC(=O)C[C@@H](C)[C@@]12CC[C@@H]([C@](C)(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2

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found in taxon

Boeremia foveata

1 reference

stated in

Sesquiterpenoid spiro compounds from potato tubers infected with Phoma foveata and Fusarium spp.

Identifiers

InChI

InChI=1S/C21H34O8/c1-11-6-14(23)7-12(2)21(11)5-4-13(8-21)20(3,27)10-28-19-18(26)17(25)16(24)15(9-22)29-19/h6,12-13,15-19,22,24-27H,4-5,7-10H2,1-3H3/t12-,13-,15-,16-,17+,18-,19-,20-,21-/m1/s1

0 references

InChIKey

FSQYQQPZIHCQMQ-PPWBTXESSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FSQYQQPZIHCQMQ-PPWBTXESSA-N

1 reference

(Q105000837)

(2R,5S,10R)-6,10-Dimethyl-2-[(S)-1-hydroxy-1-methyl-2-(beta-D-glucopyranosyloxy)ethyl]spiro[4.5]deca-6-ene-8-one

Statements

Identifiers

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