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(Q77370312)
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English
(1S*,6S*,11S*)-6alpha-Hydroxydolabella-3E,7E,12-trien-14-one
bioactive natural product
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
(1R,6R,11R)-6-hydroxydolabella-3E,7E,12-trien-14-one
1 reference
based on heuristic
inferred from SMILES
8-hydroxy-3-isopropyl-6,10,12a-trimethyl-3aH,4H,5H,8H,9H,12H-cyclopenta[11]annulen-1-one
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,5E,8R,9E,12aR)-8-hydroxy-3a,6,10-trimethyl-1-propan-2-yl-4,7,8,11,12,12a-hexahydrocyclopenta[11]annulen-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C1C=C(C(C)C)C2CCC(=CC(O)CC(=CCC12C)C)C
0 references
isomeric SMILES
C/C/1=C\[C@H](C/C(=C/C[C@]2([C@H](CC1)C(=CC2=O)C(C)C)C)/C)O
0 references
found in taxon
Stachybotrys chartarum
1 reference
stated in
Atranones A-G, from the toxigenic mold Stachybotrys chartarum.
Identifiers
InChI
InChI=1S/C20H30O2/c1-13(2)17-12-19(22)20(5)9-8-15(4)11-16(21)10-14(3)6-7-18(17)20/h8,10,12-13,16,18,21H,6-7,9,11H2,1-5H3/b14-10+,15-8+/t16-,18-,20+/m1/s1
0 references
InChIKey
HQCVRJOFBONDTQ-BZVGYOAPSA-N
2 references
stated in
PubChem
PubChem CID
637129
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
637129
language of work or name
English
PubChem CID
637129
2 references
stated in
PubChem
PubChem CID
637129
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HQCVRJOFBONDTQ-BZVGYOAPSA-N
ChEBI ID
202272
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O2/c1-13(2)17-12-19(22)20(5)9-8-15(4)11-16(21)10-14(3)6-7-18(17)20/h8,10,12-13,16,18,21H,6-7,9,11H2,1-5H3/b14-10+,15-8+/t16-,18-,20+/m1/s1
UniChem compound ID
44636418
1 reference
stated in
UniChem
NMRShiftDB structure ID
10352
1 reference
matched by identifier from
InChIKey
InChIKey
HQCVRJOFBONDTQ-BZVGYOAPSA-N
Natural Product Atlas ID
NPA005042
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HQCVRJOFBONDTQ-BZVGYOAPSA-N
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