(Q105171783)

English

(2S)-5-(hydroxymethyl)-2,7-dimethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

5-(Hydroxymethyl)-2,7-dimethyl-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one

1 reference

based on heuristic

inferred from SMILES

mass

396.178417856 dalton

1 reference

1 reference

C₂₀H₂₈O₈

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canonical SMILES

O=C1C=2C(=C(C(=CC2CC1C)CO)CCOC3OC(CO)C(O)C(O)C3O)C

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isomeric SMILES

Cc1c(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(CO)cc2c1C(=O)[C@@H](C)C2

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found in taxon

Pteridium aquilinum

1 reference

stated in

Pterosin N and O, phenylacetylpterosin C,and pteroside P from bracken, Pteridium aquilinum var. latiusculum.

Identifiers

InChI

InChI=1S/C20H28O8/c1-9-5-11-6-12(7-21)13(10(2)15(11)16(9)23)3-4-27-20-19(26)18(25)17(24)14(8-22)28-20/h6,9,14,17-22,24-26H,3-5,7-8H2,1-2H3/t9-,14 ,17 ,18-,19-,20 /m0/s1

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InChIKey

MTMPFCKKJBWSKK-QEKFUDEOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MTMPFCKKJBWSKK-QEKFUDEOSA-N

1 reference

(Q105171783)

(2S)-5-(hydroxymethyl)-2,7-dimethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one

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