(Q104919525)

English

alpha,beta-Dehydrocurvularin

group of stereoisomers with the chemical formula C₁₆H₁₈O₅

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instance of

group of stereoisomers

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1 reference

290.115423676 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₁₈O₅

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canonical SMILES

O=C1C=CCCCC(OC(=O)CC=2C=C(O)C=C(O)C12)C

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isomeric SMILES

CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1

1 reference

1 reference

Characterization of the biosynthetic genes for 10,11-dehydrocurvularin, a heat shock response-modulating anticancer fungal polyketide from Aspergillus terreus

Identifiers

InChI

InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+

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InChIKey

AVIRMQMUBGNCKS-GQCTYLIASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AVIRMQMUBGNCKS-GQCTYLIASA-N

ChEBI ID

181240

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+

1 reference

NMRShiftDB structure ID

10018554

1 reference

matched by identifier from

InChIKey

AVIRMQMUBGNCKS-GQCTYLIASA-N

Natural Product Atlas ID

NPA004907

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AVIRMQMUBGNCKS-GQCTYLIASA-N

(Q104919525)

alpha,beta-Dehydrocurvularin

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