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(Q105279905)
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English
Iso-A82775C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(3-Methylbuta-1,3-dienylidene)-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]heptane-2,5-diol
1 reference
based on heuristic
inferred from SMILES
mass
262.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂O₃
0 references
canonical SMILES
OC1C(=C=CC(=C)C)CC(O)C2OC12CC=C(C)C
0 references
isomeric SMILES
C=C(C)C=C=C1C[C@H](O)[C@@H]2O[C@]2(CC=C(C)C)[C@@H]1O
0 references
found in taxon
Pestalotiopsis fici
4 references
stated in
Chloropupukeananin, the First Chlorinated Pupukeanane Derivative, and Its Precursors fromPestalotiopsis fici
stated in
Pestalofones A-E, bioactive cyclohexanone derivatives from the plant endophytic fungus Pestalotiopsis fici
stated in
Chloropupukeananin, the First Chlorinated Pupukeanane Derivative, and Its Precursors fromPestalotiopsis fici
stated in
Chloropestolide A, an antitumor metabolite with an unprecedented spiroketal skeleton from Pestalotiopsis fici.
Identifiers
InChI
InChI=1S/C16H22O3/c1-10(2)5-6-12-9-13(17)15-16(19-15,14(12)18)8-7-11(3)4/h5,7,13-15,17-18H,1,8-9H2,2-4H3/t6?,13-,14+,15-,16+/m0/s1
0 references
InChIKey
UVJMKAOVIXOTGD-XKEBAXICSA-N
0 references
PubChem CID
101860370
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UVJMKAOVIXOTGD-XKEBAXICSA-N
ChEBI ID
156312
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H22O3/c1-10(2)5-6-12-9-13(17)15-16(19-15,14(12)18)8-7-11(3)4/h5,7,13-15,17-18H,1,8-9H2,2-4H3/t6?,13-,14+,15-,16+/m0/s1
UniChem compound ID
97621673
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA028398
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UVJMKAOVIXOTGD-XKEBAXICSA-N
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