Preferred Name

Monoacetoxyscirpenol

Synonyms

(10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate

ID

http://purl.obolibrary.org/obo/CHEBI_175144

charge

0

database_cross_reference

Chemspider:380266

HMDB:HMDB0035848

formula

C17H24O6

has_exact_synonym

(10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate

has_obo_namespace

chebi_ontology

id

CHEBI:175144

in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR

inchi

InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3

inchikey

IRXDUBNENLKYTC-UHFFFAOYSA-N

label

Monoacetoxyscirpenol

mass

324.373

monoisotopicmass

324.15729

notation

CHEBI:175144

prefLabel

Monoacetoxyscirpenol

smiles

O1C2(C3(C4(C(OC2C(O)C3O)C=C(CC4)C)COC(=O)C)C)C1

treeView

http://purl.obolibrary.org/obo/CHEBI_55517

subClassOf

http://purl.obolibrary.org/obo/CHEBI_55517

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http://purl.bioontology.org/ontology/MESH/C045747 Medical Subject Headings / 医学主题词表 LOOM