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(Q83002066)
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Macrophorin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-[(5,5,8a-Trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
1 reference
based on heuristic
inferred from SMILES
mass
360.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₄
0 references
canonical SMILES
O=C1C=C(CO)C(O)C2OC12CC3C(=C)CCC4C(C)(C)CCCC34C
0 references
isomeric SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C[C@]34[C@H](O3)[C@@H](C(=CC4=O)CO)O)(C)C
0 references
found in taxon
Botryosphaeria berengeriana
3 references
stated in
New terpene-linked cyclohexenone epoxides, macrophorin A, B and C, produced by the fungus caused Macrophoma fruit rot of apple.
stated in
Isolation and Identification of New Antifungal Macrophorins E, F and G as Malonyl Meroterpenes from Botryosphaeria berengeriana.
stated in
Isolation and Identification of New Antifungal Macrophorins E, F and G as Malonyl Meroterpenes from Botryosphaeria berengeriana.
Macrophoma
1 reference
stated in
New terpene-linked cyclohexenone epoxides, macrophorin A, B and C, produced by the fungus caused Macrophoma fruit rot of apple.
Phyllosticta capitalensis
1 reference
stated in
Eremophilane Sesquiterpenes and Polyketones Produced by an Endophytic Guignardia Fungus from the Toxic Plant Gelsemium elegans
Identifiers
InChI
InChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3/t15-,16-,18+,19+,21+,22-/m0/s1
0 references
InChIKey
OOIYDCZXWGFDDL-VKUFQHAMSA-N
0 references
CAS Registry Number
85754-70-7
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=85754-70-7
InChIKey
OOIYDCZXWGFDDL-VKUFQHAMSA-N
PubChem CID
158854
1 reference
matched by identifier from
InChIKey
InChIKey
OOIYDCZXWGFDDL-VKUFQHAMSA-N
ChEBI ID
175637
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3/t15-,16-,18+,19+,21+,22-/m0/s1
UniChem compound ID
32028304
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201006368
1 reference
matched by identifier from
InChIKey
InChIKey
OOIYDCZXWGFDDL-VKUFQHAMSA-N
DSSTOX compound identifier
DTXCID101433239
0 references
UNII
SGH5AIR1V9
1 reference
matched by identifier from
InChIKey
InChIKey
OOIYDCZXWGFDDL-VKUFQHAMSA-N
Natural Product Atlas ID
NPA024691
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OOIYDCZXWGFDDL-VKUFQHAMSA-N
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