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(Q83055298)
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Bisisodiospyrin
chemical compound
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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
biogenic naphthochinone
0 references
mass
746.142426272
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₄H₂₆O₁₂
0 references
canonical SMILES
CC1=CC2=C(C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O)C(=O)C(=CC2=O)C5=CC(=O)C6=C(C5=O)C(=C(C(=C6)C)C7=C8C(=O)C=CC(=O)C8=C(C=C7C)O)O
0 references
found in taxon
Diospyros japonica
1 reference
stated in
Pharmacology and chemotaxonomy of Diospyros
Diospyros lotus
1 reference
stated in
Pharmacology and chemotaxonomy of Diospyros
Diospyros maingayi
1 reference
stated in
Pharmacology and chemotaxonomy of Diospyros
Diospyros morrisiana
1 reference
stated in
Pharmacology and chemotaxonomy of Diospyros
Diospyros loureiroana
1 reference
stated in
Pharmacology and chemotaxonomy of Diospyros
Identifiers
InChI
InChI=1S/C44H26O12/c1-15-9-21-27(49)13-19(41(53)35(21)43(55)33(15)31-17(3)11-29(51)37-23(45)5-7-25(47)39(31)37)20-14-28(50)22-10-16(2)34(44(56)36(22)42(20)54)32-18(4)12-30(52)38-24(46)6-8-26(48)40(32)38/h5-14,51-52,55-56H,1-4H3
0 references
InChIKey
HIBRRCAYIWFCBY-UHFFFAOYSA-N
0 references
CAS Registry Number
30276-87-0
1 reference
InChIKey
HIBRRCAYIWFCBY-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=30276-87-0
PubChem CID
169144
1 reference
matched by identifier from
InChIKey
InChIKey
HIBRRCAYIWFCBY-UHFFFAOYSA-N
UniChem compound ID
31994595
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70184366
1 reference
matched by identifier from
InChIKey
InChIKey
HIBRRCAYIWFCBY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80106857
0 references
Human Metabolome Database ID
HMDB0030642
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HIBRRCAYIWFCBY-UHFFFAOYSA-N
UNII
3DEY9X7TZX
1 reference
matched by identifier from
InChIKey
InChIKey
HIBRRCAYIWFCBY-UHFFFAOYSA-N
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