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(Q77383331)
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English
Pennicitrinone C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3,6-Dihydroxy-5-(3-hydroxybutan-2-yl)-4,12,14,15-tetramethyl-8,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12-hexaen-11-one
1 reference
based on heuristic
inferred from SMILES
mass
398.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(14S,15S)-3,6-dihydroxy-5-[(2S,3S)-3-hydroxybutan-2-yl]-4,12,14,15-tetramethyl-8,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12-hexaen-11-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₃H₂₆O₆
0 references
canonical SMILES
O=C1C=C2OC3=C(O)C(=C(C(O)=C3C=4OC(C)C(C(C24)=C1C)C)C)C(C)C(O)C
0 references
isomeric SMILES
C[C@@H]1[C@H](OC2=C3C1=C(C(=O)C=C3OC4=C(C(=C(C(=C24)O)C)[C@H](C)[C@H](C)O)O)C)C
0 references
found in taxon
Penicillium citrinum
1 reference
stated in
Citrinin dimers from the halotolerant fungus Penicillium citrinum B-57.
Identifiers
InChI
InChI=1S/C23H26O6/c1-8(12(5)24)17-11(4)20(26)19-22-18-15(29-23(19)21(17)27)7-14(25)10(3)16(18)9(2)13(6)28-22/h7-9,12-13,24,26-27H,1-6H3/t8-,9-,12+,13-/m1/s1
0 references
InChIKey
HESPWWKIRCFDQL-MNUQUWEESA-N
2 references
stated in
PubChem
PubChem CID
24850196
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
24850196
language of work or name
English
PubChem CID
24850196
1 reference
stated in
PubChem
PubChem CID
24850196
language of work or name
English
ChEBI ID
191933
0 references
UniChem compound ID
170426
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007100
1 reference
based on heuristic
inferred from InChIKey
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