(Q105386771)

English

(4R)-3-(hydroxymethyl)-5,5-dimethyl-4-[(3R)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside

1 reference

based on heuristic

inferred from SMILES

mass

388.209717984 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

1 reference

1 reference

C₁₉H₃₂O₈

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canonical SMILES

O=C1C=C(CO)C(CCC(OC2OC(CO)C(O)C(O)C2O)C)C(C)(C)C1

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isomeric SMILES

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

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found in taxon

Allium ampeloprasum

1 reference

stated in

Accumulation of apocarotenoids in mycorrhizal roots of leek (Allium porrum).

Allium porrum

1 reference

stated in

Accumulation of apocarotenoids in mycorrhizal roots of leek (Allium porrum).

Medicago truncatula

1 reference

stated in

Metabolite profiling of mycorrhizal roots of Medicago truncatula

Salacia chinensis

1 reference

stated in

New triterpene constituents, foliasalacins A(1)-A(4), B(1)-B(3), and C, from the leaves of Salacia chinensis

Tetradium glabrifolium

1 reference

stated in

Euodionosides A-G: megastigmane glucosides from leaves of Euodia meliaefolia

Allium obliquum

1 reference

stated in

Accumulation of apocarotenoids in mycorrhizal roots of leek (Allium porrum).

Identifiers

InChI

InChI=1S/C19H32O8/c1-10(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h6,10,13-18,20-21,23-25H,4-5,7-9H2,1-3H3/t10-,13+,14-,15+,16+,17-,18-/m1/s1

0 references

InChIKey

ZZFQYZCZBBRLTI-KKOMSDDVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZZFQYZCZBBRLTI-KKOMSDDVSA-N

(Q105386771)

(4R)-3-(hydroxymethyl)-5,5-dimethyl-4-[(3R)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

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