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(Q77492353)
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Xylaguaianol B
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
7-(1,2-Dihydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
1 reference
based on heuristic
inferred from SMILES
mass
272.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Xylaguaianol A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₈O₄
0 references
canonical SMILES
OCC(O)(C)C1CCC(O)(C)C2CCC(O)(C)C2C1
0 references
isomeric SMILES
C[C@]1(CC[C@@H](C[C@H]2[C@@H]1CC[C@@]2(C)O)[C@](C)(CO)O)O
0 references
found in taxon
Xylaria
1 reference
stated in
Sesquiterpenes and other constituents of Xylaria sp. NC1214, a fungal endophyte of the moss Hypnum sp.
Identifiers
InChI
InChI=1S/C15H28O4/c1-13(17)6-4-10(15(3,19)9-16)8-12-11(13)5-7-14(12,2)18/h10-12,16-19H,4-9H2,1-3H3/t10-,11-,12-,13+,14+,15-/m0/s1
0 references
InChIKey
YPCHDQUGYDAPIS-VMCMIOBHSA-N
2 references
stated in
PubChem
PubChem CID
122211421
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
122211421
language of work or name
English
PubChem CID
122211421
2 references
stated in
PubChem
PubChem CID
122211421
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YPCHDQUGYDAPIS-VMCMIOBHSA-N
ChEBI ID
210634
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H28O4/c1-13(17)6-4-10(15(3,19)9-16)8-12-11(13)5-7-14(12,2)18/h10-12,16-19H,4-9H2,1-3H3/t10-,11-,12-,13+,14+,15-/m0/s1
UniChem compound ID
147854119
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009820
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YPCHDQUGYDAPIS-VMCMIOBHSA-N
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