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(Q77502774)
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English
Ophiobolin S
bioactive natural product
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Statements
instance of
group of stereoisomers
0 references
subclass of
ophiobolane sesterterpenoid
0 references
mass
432.28757438
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₄₀O₅
0 references
canonical SMILES
O=CC1=CCC2C(CCC2(C)CC3C1C(=O)CC3(O)C)C(C=CC(OC)C(O)(C)C)C
0 references
isomeric SMILES
COC(C=C[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](C(=O)C[C@@]3(C)O)/C(C=O)=C\C[C@@H]12)C(C)(C)O
0 references
found in taxon
Ulocladium
1 reference
stated in
Ophiobolins P-T, five new cytotoxic and antibacterial sesterterpenes from the endolichenic fungus Ulocladium sp.
Alternaria
1 reference
stated in
Ophiobolins P-T, five new cytotoxic and antibacterial sesterterpenes from the endolichenic fungus Ulocladium sp.
Identifiers
InChI
InChI=1S/C26H40O5/c1-16(7-10-22(31-6)24(2,3)29)18-11-12-25(4)13-20-23(21(28)14-26(20,5)30)17(15-27)8-9-19(18)25/h7-8,10,15-16,18-20,22-23,29-30H,9,11-14H2,1-6H3/b10-7?,17-8-/t16-,18+,19-,20-,22?,23-,25+,26+/m0/s1
0 references
InChIKey
GIBPHPHOBXYRHB-PZFMCOCGSA-N
2 references
stated in
PubChem
PubChem CID
139586271
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586271
language of work or name
English
PubChem CID
139586271
2 references
stated in
PubChem
PubChem CID
139586271
language of work or name
English
matched by identifier from
InChIKey
InChIKey
GIBPHPHOBXYRHB-PZFMCOCGSA-N
ChEBI ID
219266
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H40O5/c1-16(7-10-22(31-6)24(2,3)29)18-11-12-25(4)13-20-23(21(28)14-26(20,5)30)17(15-27)8-9-19(18)25/h7-8,10,15-16,18-20,22-23,29-30H,9,11-14H2,1-6H3/b10-7?,17-8-/t16-,18+,19-,20-,22?,23-,25+,26+/m0/s1
UniChem compound ID
170909546
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011444
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GIBPHPHOBXYRHB-PZFMCOCGSA-N
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