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(Q77518133)
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Verrucosidinol
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
6-[2,3-Dihydroxy-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
434.230453428
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
6-[(2S,3S,4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₄O₇
0 references
canonical SMILES
O=C1OC(=C(C(OC)=C1C)C)C(O)(C)C(O)C(=CC(=CC2(OC(C)C3(OC23)C)C)C)C
0 references
isomeric SMILES
COc1c(C)c(C(C)(O)[C@@H](O)/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@@H]23)oc(=O)c1C
0 references
found in taxon
Penicillium aurantiogriseum
1 reference
stated in
Verrucisidinol and verrucosidinol acetate, two pyrone-type polyketides isolated from a marine derived fungus, Penicillium aurantiogriseum
Identifiers
InChI
InChI=1S/C24H34O7/c1-12(11-22(6)21-24(8,31-21)16(5)30-22)10-13(2)18(25)23(7,27)19-14(3)17(28-9)15(4)20(26)29-19/h10-11,16,18,21,25,27H,1-9H3/b12-11+,13-10+/t16-,18+,21+,22+,23?,24-/m1/s1
0 references
InChIKey
UXTZIHZDUIRZDY-FCOAJAACSA-N
2 references
stated in
PubChem
PubChem CID
139586965
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586965
language of work or name
English
PubChem CID
139586965
2 references
stated in
PubChem
PubChem CID
139586965
language of work or name
English
matched by identifier from
InChIKey
InChIKey
UXTZIHZDUIRZDY-FCOAJAACSA-N
ChEBI ID
209004
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H34O7/c1-12(11-22(6)21-24(8,31-21)16(5)30-22)10-13(2)18(25)23(7,27)19-14(3)17(28-9)15(4)20(26)29-19/h10-11,16,18,21,25,27H,1-9H3/b12-11+,13-10+/t16-,18+,21+,22+,23?,24-/m1/s1
UniChem compound ID
170910154
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA013893
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UXTZIHZDUIRZDY-FCOAJAACSA-N
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