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Phellinignincisterol A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
8a-hydroxy-6-[6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-5a-methyl-3aH,4H,5H,6H,7H,8H-indeno[5,4-b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
364.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Phellinignincisterol A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₂O₅
0 references
canonical SMILES
O=C1OC2C(=C1)C3(O)CCC(C(C=CC(CO)C(O)(C)C)C)C3(C)CC2
0 references
isomeric SMILES
C[C@H](C=C[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C
0 references
found in taxon
Phellinus igniarius
1 reference
stated in
Homo- and heptanor-sterols and tremulane sesquiterpenes from cultures of Phellinus igniarius
Identifiers
InChI
InChI=1S/C21H32O5/c1-13(5-6-14(12-22)19(2,3)24)15-7-10-21(25)16-11-18(23)26-17(16)8-9-20(15,21)4/h5-6,11,13-15,17,22,24-25H,7-10,12H2,1-4H3/t13-,14-,15-,17+,20-,21-/m1/s1
0 references
InChIKey
DPLUBJMWMWJWLE-HPGAYVIXSA-N
2 references
stated in
PubChem
PubChem CID
139586300
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586300
language of work or name
English
PubChem CID
139586300
2 references
stated in
PubChem
PubChem CID
139586300
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DPLUBJMWMWJWLE-HPGAYVIXSA-N
ChEBI ID
219689
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H32O5/c1-13(5-6-14(12-22)19(2,3)24)15-7-10-21(25)16-11-18(23)26-17(16)8-9-20(15,21)4/h5-6,11,13-15,17,22,24-25H,7-10,12H2,1-4H3/t13-,14-,15-,17+,20-,21-/m1/s1
UniChem compound ID
170909573
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011529
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DPLUBJMWMWJWLE-HPGAYVIXSA-N
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