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(Q77378083)
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English
10alpha,13-Dihydroxy-1beta-methoxyeremophil-7(11)-en-12,8beta-olide
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
8a-hydroxy-3-(hydroxymethyl)-8-methoxy-4a,5-dimethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
296.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₄O₅
0 references
canonical SMILES
O=C1OC2C(=C1CO)CC3(C)C(C)CCC(OC)C3(O)C2
0 references
isomeric SMILES
C[C@H]1CC[C@H]([C@@]2([C@@]1(CC3=C(C(=O)O[C@@H]3C2)CO)C)O)OC
0 references
found in taxon
Xylaria
1 reference
stated in
Eremophilane-Type Sesquiterpenes from the FungusXylariasp. BCC 21097
Identifiers
InChI
InChI=1S/C16H24O5/c1-9-4-5-13(20-3)16(19)7-12-10(6-15(9,16)2)11(8-17)14(18)21-12/h9,12-13,17,19H,4-8H2,1-3H3/t9-,12+,13+,15+,16-/m0/s1
0 references
InChIKey
BNVXZZZXSKOUHO-KRNPMLGVSA-N
2 references
stated in
PubChem
PubChem CID
46211191
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
46211191
language of work or name
English
PubChem CID
46211191
2 references
stated in
PubChem
PubChem CID
46211191
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BNVXZZZXSKOUHO-KRNPMLGVSA-N
ChEBI ID
203488
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H24O5/c1-9-4-5-13(20-3)16(19)7-12-10(6-15(9,16)2)11(8-17)14(18)21-12/h9,12-13,17,19H,4-8H2,1-3H3/t9-,12+,13+,15+,16-/m0/s1
UniChem compound ID
33565925
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA006450
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BNVXZZZXSKOUHO-KRNPMLGVSA-N
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