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(Q104403293)
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English
Physalin K
group of stereoisomers with the chemical formula C₂₈H₃₀O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
558.1737263999997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₀O₁₂
0 references
canonical SMILES
O=C1OC2CC3(C)C1COC45OC6(C3C4=O)C(O)(C(=O)OC26C)CCC7C5CC(O)C89OOC(C=C8)C(=O)C79C
0 references
Identifiers
InChI
InChI=1S/C28H30O12/c1-22-9-16-24(3)28-17(22)19(31)27(39-28,35-10-13(22)20(32)36-16)12-8-15(29)26-7-5-14(38-40-26)18(30)23(26,2)11(12)4-6-25(28,34)21(33)37-24/h5,7,11-17,29,34H,4,6,8-10H2,1-3H3
0 references
InChIKey
IRYOOASWRCIZCK-UHFFFAOYSA-N
0 references
CAS Registry Number
76045-35-7
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
73816389
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IRYOOASWRCIZCK-UHFFFAOYSA-N
ChEBI ID
187118
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H30O12/c1-22-9-16-24(3)28-17(22)19(31)27(39-28,35-10-13(22)20(32)36-16)12-8-15(29)26-7-5-14(38-40-26)18(30)23(26,2)11(12)4-6-25(28,34)21(33)37-24/h5,7,11-17,29,34H,4,6,8-10H2,1-3H3
UniChem compound ID
31993581
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034347
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IRYOOASWRCIZCK-UHFFFAOYSA-N
KNApSAcK ID
C00057124
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IRYOOASWRCIZCK-UHFFFAOYSA-N
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