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(Q75066750)
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Pinicolic acid E
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(16-Hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-6-methylhept-5-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
470.339609952
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₆O₄
0 references
canonical SMILES
O=C(O)C(CCC=C(C)C)C1C(O)CC2(C3=C(CCC12C)C4(C)CCC(=O)C(C)(C)C4CC3)C
0 references
isomeric SMILES
CC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
0 references
found in taxon
Fomitopsis pinicola
2 references
stated in
Constituents of various wood-rotting basidiomycetes
stated in
Steroids from the fungus Fomitopsis pinicola
Gloeophyllum odoratum
1 reference
stated in
Constituents of various wood-rotting basidiomycetes
Identifiers
InChI
InChI=1S/C30H46O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,19,22-23,25,31H,8,10-17H2,1-7H3,(H,33,34)/t19-,22-,23+,25+,28-,29-,30+/m1/s1
0 references
InChIKey
PKWORMXMWBDULM-MVQHSHHOSA-N
2 references
stated in
PubChem
PubChem CID
101725004
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
101725004
language of work or name
English
PubChem CID
101725004
2 references
stated in
PubChem
PubChem CID
101725004
language of work or name
English
matched by identifier from
InChIKey
InChIKey
PKWORMXMWBDULM-MVQHSHHOSA-N
ChEBI ID
199492
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H46O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,19,22-23,25,31H,8,10-17H2,1-7H3,(H,33,34)/t19-,22-,23+,25+,28-,29-,30+/m1/s1
UniChem compound ID
96731763
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002257
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PKWORMXMWBDULM-MVQHSHHOSA-N
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