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(Q77518477)
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English
Kobiin
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(Hydroxymethyl)-8,15-dimethyl-12-methylidene-18-propan-2-ylbicyclo[13.3.0]octadeca-2,4,8-triene-6,17-diol
1 reference
based on heuristic
inferred from SMILES
mass
388.29774514
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Kobiin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₄₀O₃
0 references
canonical SMILES
OCC=1C=CC2C(C(O)CC2(C)CCC(=C)CCC=C(C)CC(O)C1)C(C)C
0 references
isomeric SMILES
C/C/1=C/CCC(=C)CC[C@@]2(C[C@H]([C@@H]([C@H]2/C=C\C(=C/[C@H](C1)O)\CO)C(C)C)O)C
0 references
found in taxon
Neurospora kobi
1 reference
stated in
Four new immunosuppressive components, kobiin and kobifuranones A, B, and C, from an ascomycete, Gelasinospora kobi
Identifiers
InChI
InChI=1S/C25H40O3/c1-17(2)24-22-10-9-20(16-26)14-21(27)13-19(4)8-6-7-18(3)11-12-25(22,5)15-23(24)28/h8-10,14,17,21-24,26-28H,3,6-7,11-13,15-16H2,1-2,4-5H3/b10-9-,19-8-,20-14+/t21-,22+,23+,24+,25+/m0/s1
0 references
InChIKey
INZNBTRIPSMDBL-UCARPSNNSA-N
2 references
stated in
PubChem
PubChem CID
139586972
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586972
language of work or name
English
PubChem CID
139586972
2 references
stated in
PubChem
PubChem CID
139586972
language of work or name
English
matched by identifier from
InChIKey
InChIKey
INZNBTRIPSMDBL-UCARPSNNSA-N
ChEBI ID
209315
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H40O3/c1-17(2)24-22-10-9-20(16-26)14-21(27)13-19(4)8-6-7-18(3)11-12-25(22,5)15-23(24)28/h8-10,14,17,21-24,26-28H,3,6-7,11-13,15-16H2,1-2,4-5H3/b10-9-,19-8-,20-14+/t21-,22+,23+,24+,25+/m0/s1
UniChem compound ID
170910161
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA013948
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
INZNBTRIPSMDBL-UCARPSNNSA-N
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