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(Q75065212)
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3-epi-petasol
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
(3S,4ar,5r,6r)-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
1 reference
based on heuristic
inferred from SMILES
(3R,4aR,5R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
neopetasol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
petasol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C1C=C2CCC(O)C(C)C2(C)CC1C(=C)C
0 references
isomeric SMILES
C[C@H]1[C@H](CCC2=CC(=O)[C@@H](C[C@]12C)C(=C)C)O
0 references
found in taxon
Sarcographa tricosa
1 reference
stated in
Eremophilane-type sesquiterpenes from cultured lichen mycobionts of Sarcographa tricosa
Identifiers
InChI
InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,12-13,16H,1,5-6,8H2,2-4H3/t10-,12-,13-,15+/m0/s1
0 references
InChIKey
AJFPOVBARCSOLH-GZCFXPHUSA-N
2 references
stated in
PubChem
PubChem CID
139583664
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139583664
language of work or name
English
PubChem CID
139583664
2 references
stated in
PubChem
PubChem CID
139583664
language of work or name
English
matched by identifier from
InChIKey
InChIKey
AJFPOVBARCSOLH-GZCFXPHUSA-N
ChEBI ID
199301
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,12-13,16H,1,5-6,8H2,2-4H3/t10-,12-,13-,15+/m0/s1
UniChem compound ID
154205050
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002042
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AJFPOVBARCSOLH-GZCFXPHUSA-N
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