(Q105269708)

English

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(2S,5R)-5-[(1Z,4S)-4-hydroxy-4-methylhexa-1,5-dienyl]-5-methyloxolan-2-yl]propan-2-yloxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[2-[5-(4-hydroxy-4-methylhexa-1,5-dienyl)-5-methyloxolan-2-yl]propan-2-yloxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

416.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(2S,5R)-5-[(1E,4S)-4-hydroxy-4-methylhexa-1,5-dienyl]-5-methyloxolan-2-yl]propan-2-yloxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(2S,5R)-5-[(4S)-4-hydroxy-4-methylhexa-1,5-dienyl]-5-methyloxolan-2-yl]propan-2-yloxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₆O₈

0 references

canonical SMILES

OCC1OC(OC(C)(C)C2OC(C=CCC(O)(C=C)C)(C)CC2)C(O)C(O)C1O

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isomeric SMILES

C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1

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found in taxon

Crataegus pinnatifida

1 reference

stated in

Terpenoids and hexenes from the leaves of Crataegus pinnatifida.

Identifiers

InChI

InChI=1S/C21H36O8/c1-6-20(4,26)9-7-10-21(5)11-8-14(28-21)19(2,3)29-18-17(25)16(24)15(23)13(12-22)27-18/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1

0 references

InChIKey

UBWUZHMCADSLDT-SOHRVHQUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UBWUZHMCADSLDT-SOHRVHQUSA-N

(Q105269708)

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(2S,5R)-5-[(1Z,4S)-4-hydroxy-4-methylhexa-1,5-dienyl]-5-methyloxolan-2-yl]propan-2-yloxy]oxane-3,4,5-triol

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Identifiers

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