(Q105262430)

English

(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[2-[(1R,4R,6S,7S,10R)-10-hydroxy-7-methyl-12-oxatricyclo[5.3.2.01,6]dodecan-4-yl]propan-2-yloxy]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

eudesmane sesquiterpenoid

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mass

416.241018112 dalton

1 reference

1 reference

C₂₁H₃₆O₈

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canonical SMILES

OCC1OC(OC(C)(C)C2CCC34COC(C)(CCC3O)C4C2)C(O)C(O)C1O

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isomeric SMILES

CC(C)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)[C@@H]1CC[C@@]23CO[C@@](C)(CC[C@H]2O)[C@H]3C1

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found in taxon

celery

1 reference

stated in

Polar constituents of celery seed

Identifiers

InChI

InChI=1S/C21H36O8/c1-19(2,29-18-17(26)16(25)15(24)12(9-22)28-18)11-4-7-21-10-27-20(3,13(21)8-11)6-5-14(21)23/h11-18,22-26H,4-10H2,1-3H3/t11-,12-,13-,14-,15+,16-,17-,18-,20+,21+/m1/s1

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InChIKey

SVTDNHQQQWBECF-GITSRQFSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SVTDNHQQQWBECF-GITSRQFSSA-N

1 reference

(Q105262430)

(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[2-[(1R,4R,6S,7S,10R)-10-hydroxy-7-methyl-12-oxatricyclo[5.3.2.01,6]dodecan-4-yl]propan-2-yloxy]oxane-3,4,5-triol

Statements

Identifiers

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