(Q82904143)

English

Cinatrin A

group of stereoisomers with the chemical formula C₁₈H₂₆O₈

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Statements

group of stereoisomers

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chemical compound

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370.1627677919999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₆O₈

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canonical SMILES

O=C(O)C1(O)C(O)C(=O)OC21C(=O)OC(CCCCCCCCC=C)C2

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isomeric SMILES

C=CCCCCCCCCC1C[C@]2(OC(=O)[C@H](O)C2(O)C(=O)O)C(=O)O1

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Identifiers

InChI=1S/C18H26O8/c1-2-3-4-5-6-7-8-9-10-12-11-17(16(23)25-12)18(24,15(21)22)13(19)14(20)26-17/h2,12-13,19,24H,1,3-11H2,(H,21,22)/t12?,13-,17-,18?/m0/s1

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ZFUPZDZSERSKNA-ZVRZEWSUSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID501358053

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