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(Q105175821)
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Ochracene H
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-Hydroxy-7,9a-dimethyl-1,2,3,7,8,9-hexahydrobenzo[7]annulene-6-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
236.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₀O₃
0 references
canonical SMILES
O=C(O)C1=CC2=CCCC(O)C2(C)CCC1C
0 references
isomeric SMILES
C[C@H]1CC[C@]2(C)C(=CCC[C@H]2O)C=C1C(=O)O
0 references
found in taxon
Aspergillus ochraceopetaliformis
1 reference
stated in
Ochracenes A-I, Humulane-Derived Sesquiterpenoids from the Antarctic Fungus Aspergillus ochraceopetaliformis
Identifiers
InChI
InChI=1S/C14H20O3/c1-9-6-7-14(2)10(4-3-5-12(14)15)8-11(9)13(16)17/h4,8-9,12,15H,3,5-7H2,1-2H3,(H,16,17)/t9-,12+,14+/m0/s1
0 references
InChIKey
MZLPVRHRFDXNNU-MRCXROJRSA-N
0 references
PubChem CID
95790322
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MZLPVRHRFDXNNU-MRCXROJRSA-N
ChEBI ID
207735
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H20O3/c1-9-6-7-14(2)10(4-3-5-12(14)15)8-11(9)13(16)17/h4,8-9,12,15H,3,5-7H2,1-2H3,(H,16,17)/t9-,12+,14+/m0/s1
UniChem compound ID
106692438
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA022358
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MZLPVRHRFDXNNU-MRCXROJRSA-N
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