(Q105272892)

English

(2Z,4E)-5-[(1R,3R,5R,8S)-8-hydroxy-1,5-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[8-Hydroxy-1,5-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid

1 reference

based on heuristic

inferred from SMILES

(2Z,4E)-5-[(3S,8S)-8-hydroxy-1,5-dimethyl-3-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid

1 reference

based on heuristic

inferred from SMILES

mass

444.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2Z,4E)-5-[(1S,3S,5R,8S)-8-hydroxy-1,5-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

dihydrophaseic acid 4-O-beta-D-glucoside

1 reference

based on heuristic

inferred from InChI

(2E,4E)-5-[(1S,3R,5S,8R)-8-hydroxy-1,5-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₁₀

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canonical SMILES

O=C(O)C=C(C=CC1(O)C2(OCC1(C)CC(OC3OC(CO)C(O)C(O)C3O)C2)C)C

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isomeric SMILES

CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2

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found in taxon

avocado

1 reference

stated in

Two glucosylated abscisic acid derivates from avocado seeds (Persea americana Mill. Lauraceae cv. Hass).

Identifiers

InChI

InChI=1S/C21H32O10/c1-11(6-14(23)24)4-5-21(28)19(2)7-12(8-20(21,3)29-10-19)30-18-17(27)16(26)15(25)13(9-22)31-18/h4-6,12-13,15-18,22,25-28H,7-10H2,1-3H3,(H,23,24)/b5-4+,11-6-/t12-,13-,15-,16+,17-,18-,19-,20-,21+/m1/s1

0 references

InChIKey

UHHVHDDICOEBTQ-QCJIOVKVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

181716

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H32O10/c1-11(6-14(23)24)4-5-21(28)19(2)7-12(8-20(21,3)29-10-19)30-18-17(27)16(26)15(25)13(9-22)31-18/h4-6,12-13,15-18,22,25-28H,7-10H2,1-3H3,(H,23,24)/b5-4+,11-6-/t12-,13-,15-,16+,17-,18-,19-,20-,21+/m1/s1

1 reference

(Q105272892)

(2Z,4E)-5-[(1R,3R,5R,8S)-8-hydroxy-1,5-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid

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