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(Q75052970)
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English
Cohaerin B
bioactive natural product
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
454.1991533
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₃₀O₇
0 references
canonical SMILES
O=C(OC1(C(=O)C=C2C=C(OC=C2C1=O)C=3C(=O)CC(O)CC3C)C)C(=CCCCCC)C
0 references
isomeric SMILES
CCCCC/C=C(\C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(C3=C(C)CC(O)CC3=O)OC=C2C1=O
0 references
found in taxon
Jackrogersella cohaerens
1 reference
stated in
Cohaerins A and B, azaphilones from the fungus Hypoxylon cohaerens, and comparison of HPLC-based metabolite profiles in Hypoxylon sect. Annulata
Identifiers
InChI
InChI=1S/C26H30O7/c1-5-6-7-8-9-15(2)25(31)33-26(4)22(29)12-17-11-21(32-14-19(17)24(26)30)23-16(3)10-18(27)13-20(23)28/h9,11-12,14,18,27H,5-8,10,13H2,1-4H3/b15-9+/t18?,26-/m0/s1
0 references
InChIKey
GKVWLPVTYNGYQO-TZNQKNEJSA-N
0 references
PubChem CID
102587076
2 references
stated in
PubChem
PubChem CID
102587076
language of work or name
English
matched by identifier from
InChIKey
InChIKey
GKVWLPVTYNGYQO-TZNQKNEJSA-N
ChEBI ID
197626
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H30O7/c1-5-6-7-8-9-15(2)25(31)33-26(4)22(29)12-17-11-21(32-14-19(17)24(26)30)23-16(3)10-18(27)13-20(23)28/h9,11-12,14,18,27H,5-8,10,13H2,1-4H3/b15-9+/t18?,26-/m0/s1
UniChem compound ID
96827206
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000104
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GKVWLPVTYNGYQO-TZNQKNEJSA-N
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