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(Q77371886)
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English
1beta,13-Dimethoxy-10alpha-hydroxyeremophil-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-8-methoxy-3-(methoxymethyl)-4a,5-dimethyl-4H,5H,6H,7H,8H,9H,9aH-naphtho[2,3-b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
310.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₆O₅
0 references
canonical SMILES
O=C1OC2C(=C1COC)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)COC)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/C17H26O5/c1-10-5-6-14(21-4)17(19)8-13-11(7-16(10,17)2)12(9-20-3)15(18)22-13/h10,13-14,19H,5-9H2,1-4H3/t10-,13+,14+,16+,17-/m0/s1
0 references
InChIKey
VWYVYIKMLITSOS-OHGMZSHCSA-N
2 references
stated in
PubChem
PubChem CID
46211194
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
46211194
language of work or name
English
PubChem CID
46211194
2 references
stated in
PubChem
PubChem CID
46211194
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VWYVYIKMLITSOS-OHGMZSHCSA-N
ChEBI ID
202530
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H26O5/c1-10-5-6-14(21-4)17(19)8-13-11(7-16(10,17)2)12(9-20-3)15(18)22-13/h10,13-14,19H,5-9H2,1-4H3/t10-,13+,14+,16+,17-/m0/s1
UniChem compound ID
32779295
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA005341
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VWYVYIKMLITSOS-OHGMZSHCSA-N
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