(Q72499403)

English

Paeonilactone B

No description defined

(+)-Paeonilactone B
(3aR,6S,7aR)-Tetrahydro-6-hydroxy-6-methyl-3-methylene-2,5(3H,4H)-benzofurandione

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Statements

type of chemical entity

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chemical compound

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196.073558864 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Paeonilactone B

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based on heuristic

inferred from InChI

chemical formula

C₁₀H₁₂O₄

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canonical SMILES

C=C1C(=O)OC2CC(C)(O)C(=O)CC12

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@](C)(O)C(=O)C[C@H]12

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C10H12O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h6-7,13H,1,3-4H2,2H3/t6-,7-,10+/m1/s1

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GFSTVWDPRTWASK-XSSZXYGBSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

0 references

1 reference

matched by identifier from

GFSTVWDPRTWASK-XSSZXYGBSA-N

mapping relation type

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matched by identifier from

International Chemical Identifier

InChI=1S/C10H12O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h6-7,13H,1,3-4H2,2H3/t6-,7-,10+/m1/s1

DSSTox substance ID

DTXSID501345684

1 reference

matched by identifier from

GFSTVWDPRTWASK-XSSZXYGBSA-N

1 reference

matched by identifier from

GFSTVWDPRTWASK-XSSZXYGBSA-N

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