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2-Methoxystypandrone
chemical compound
2-Methoxy-6-acetyl-7-methyljuglone
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic naphthochinone
0 references
mass
260.068473484
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₂O₅
0 references
canonical SMILES
CC1=CC2=C(C(=O)C=C(C2=O)OC)C(=C1C(=O)C)O
0 references
found in taxon
Rumex japonicus
1 reference
stated in
Antimicrobial components, trachrysone and 2-methoxystypandrone, in Rumex japonicus Houtt
Berchemia discolor
1 reference
stated in
Quinone pigments from Araliorhamnus vaginata
Senna longiracemosa
1 reference
stated in
Bianthrones from Senna longiracemosa
Senna didymobotrya
1 reference
stated in
PHYTOCHEMICAL STUDY OF CASSIA DIDYMOBOTRYA FRES. CULTIVATED IN EGYPT PART 1: STUDY OF QUINONES AND URACIL
Ventilago denticulata
2 references
stated in
Naphthalenes and naphthoquinones from Ventilago species
stated in
Naphthalenes and naphthoquinones from Ventilago species
Fallopia multiflora
1 reference
stated in
Histochemical analysis of the root tuber of Polygonum multiflorum Thunb. (Fam. Polygonaceae)
Ventilago calyculata
1 reference
stated in
Naphthalenes and naphthoquinones from Ventilago species
Identifiers
InChI
InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3
0 references
InChIKey
SSHJHOVVYKCJJI-UHFFFAOYSA-N
0 references
CAS Registry Number
85122-21-0
1 reference
InChIKey
SSHJHOVVYKCJJI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=85122-21-0
PubChem CID
158739
1 reference
matched by identifier from
InChIKey
InChIKey
SSHJHOVVYKCJJI-UHFFFAOYSA-N
ChEBI ID
169725
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3
UniChem compound ID
115540
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10234258
1 reference
matched by identifier from
InChIKey
InChIKey
SSHJHOVVYKCJJI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10156749
0 references
Human Metabolome Database ID
HMDB0033265
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SSHJHOVVYKCJJI-UHFFFAOYSA-N
KNApSAcK ID
C00050671
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SSHJHOVVYKCJJI-UHFFFAOYSA-N
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