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Veranisatin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl (1'S,2'R,3R,7'R,8'R,11'R)-5',7',11'-trihydroxy-2'-methyl-4,10'-dioxo-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-7'-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
356.1107322199999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₀O₉
0 references
canonical SMILES
O=C1OC2CC3(C1O)C(C)CCC3(O)C4(C(=O)OC4)C2(O)C(=O)OC
0 references
found in taxon
Illicium verum
1 reference
stated in
A prezizaane sesquiterpene from Illicium angustisepalum
Identifiers
InChI
InChI=1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3
0 references
InChIKey
BPDHZCGFGOWILW-UHFFFAOYSA-N
0 references
CAS Registry Number
153445-93-3
1 reference
InChIKey
BPDHZCGFGOWILW-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=153445-93-3
ChemSpider ID
113410
0 references
PubChem CID
127871
1 reference
matched by identifier from
InChIKey
InChIKey
BPDHZCGFGOWILW-UHFFFAOYSA-N
ChEBI ID
175569
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3
UniChem compound ID
32016417
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80934753
1 reference
matched by identifier from
InChIKey
InChIKey
BPDHZCGFGOWILW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID101363395
0 references
Human Metabolome Database ID
HMDB0040664
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BPDHZCGFGOWILW-UHFFFAOYSA-N
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