(Q105272894)

English

(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

group of stereoisomers with the chemical formula C₂₁H₃₂O₁₀

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instance of

group of stereoisomers

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1 reference

444.1995472239999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

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)C2(C)COC1(C)C[C@@H](OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2

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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-/m0/s1

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InChIKey

UHHVHDDICOEBTQ-XBFXCFGLSA-N

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PubChem CID

163194341

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UHHVHDDICOEBTQ-XBFXCFGLSA-N

(Q105272894)

(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

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