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(Q77508494)
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English
Nigernin A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3a,5a-Dimethyl-1-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene-8-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C(O)C1=CCC2(C)CCC3(C(=C(CC3)C(C)C)C2CC1)C
0 references
isomeric SMILES
CC(C)C1=C2[C@H]3CCC(C(=O)O)=CC[C@]3(C)CC[C@@]2(C)CC1
0 references
found in taxon
Phellodon niger
2 references
stated in
Cyathane diterpenoids and nitrogenous terphenyl derivative from the fruiting bodies of basidiomycete Phellodon niger
stated in
Cyathane diterpenoids and nitrogenous terphenyl derivative from the fruiting bodies of basidiomycete Phellodon niger
Identifiers
InChI
InChI=1S/C20H30O2/c1-13(2)15-8-10-20(4)12-11-19(3)9-7-14(18(21)22)5-6-16(19)17(15)20/h7,13,16H,5-6,8-12H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1
0 references
InChIKey
POIIAOQGMXPFKH-NSISKUIASA-N
2 references
stated in
PubChem
PubChem CID
46930119
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
46930119
language of work or name
English
PubChem CID
46930119
2 references
stated in
PubChem
PubChem CID
46930119
language of work or name
English
matched by identifier from
InChIKey
InChIKey
POIIAOQGMXPFKH-NSISKUIASA-N
ChEBI ID
224104
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O2/c1-13(2)15-8-10-20(4)12-11-19(3)9-7-14(18(21)22)5-6-16(19)17(15)20/h7,13,16H,5-6,8-12H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1
UniChem compound ID
34089213
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012367
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
POIIAOQGMXPFKH-NSISKUIASA-N
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