(Q82937639)

English

Pteroside A

chemical compound

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Statements

type of chemical entity

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illudalane sesquiterpenoid

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410.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₈

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canonical SMILES

O=C1C2=C(C(=C(C=C2CC1(C)CO)C)CCOC3OC(CO)C(O)C(O)C3O)C

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isomeric SMILES

Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@](C)(CO)C2

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Pteridium aquilinum

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Structure of Pteroside A and C, Glycosides of Pteridium aquilinum var. latiusculum

Pteris multifida

1 reference

Chemical and biologically active constituents of Pteris multifida

Identifiers

InChI=1S/C21H30O8/c1-10-6-12-7-21(3,9-23)19(27)15(12)11(2)13(10)4-5-28-20-18(26)17(25)16(24)14(8-22)29-20/h6,14,16-18,20,22-26H,4-5,7-9H2,1-3H3/t14-,16-,17+,18-,20-,21+/m1/s1

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UTBLUTBCAVVCIO-HPCBLLCTSA-N

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CAS Registry Number

1 reference

UTBLUTBCAVVCIO-HPCBLLCTSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=35910-15-7

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

UTBLUTBCAVVCIO-HPCBLLCTSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C21H30O8/c1-10-6-12-7-21(3,9-23)19(27)15(12)11(2)13(10)4-5-28-20-18(26)17(25)16(24)14(8-22)29-20/h6,14,16-18,20,22-26H,4-5,7-9H2,1-3H3/t14-,16-,17+,18-,20-,21+/m1/s1

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

UTBLUTBCAVVCIO-HPCBLLCTSA-N

DSSTOX compound identifier

DTXCID001385269

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