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(Q77278696)
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English
Bisabosqual A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
bisabolanes
0 references
mass
384.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₈O₅
0 references
canonical SMILES
O=CC1=CC=2OC(C)(CCC=C(C)C)C3CCC(O)(C)C4OC(=C1C=O)C2C43
0 references
isomeric SMILES
CC(C)=CCC[C@]1(C)Oc2cc(C=O)c(C=O)c3c2[C@H]2[C@@H](O3)[C@@](C)(O)CC[C@H]21
0 references
found in taxon
Stachybotrys
1 reference
stated in
Bisabosquals, novel squalene synthase inhibitors. I. Taxonomy, fermentation, isolation and biological activities.
Identifiers
InChI
InChI=1S/C23H28O5/c1-13(2)6-5-8-23(4)16-7-9-22(3,26)21-18(16)19-17(28-23)10-14(11-24)15(12-25)20(19)27-21/h6,10-12,16,18,21,26H,5,7-9H2,1-4H3/t16-,18+,21-,22+,23+/m1/s1
0 references
InChIKey
JBVANMOFCVQYLP-MQRVUQIVSA-N
2 references
stated in
PubChem
PubChem CID
9821444
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
9821444
language of work or name
English
PubChem CID
9821444
2 references
stated in
PubChem
PubChem CID
9821444
language of work or name
English
matched by identifier from
InChIKey
InChIKey
JBVANMOFCVQYLP-MQRVUQIVSA-N
ChEBI ID
200417
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H28O5/c1-13(2)6-5-8-23(4)16-7-9-22(3,26)21-18(16)19-17(28-23)10-14(11-24)15(12-25)20(19)27-21/h6,10-12,16,18,21,26H,5,7-9H2,1-4H3/t16-,18+,21-,22+,23+/m1/s1
UniChem compound ID
33882842
1 reference
stated in
UniChem
NMRShiftDB structure ID
20233501
1 reference
matched by identifier from
InChIKey
InChIKey
JBVANMOFCVQYLP-MQRVUQIVSA-N
Natural Product Atlas ID
NPA003331
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JBVANMOFCVQYLP-MQRVUQIVSA-N
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