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rubropunctatin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Hexanoyl-9a-methyl-6-prop-1-enylfuro[3,2-g]isochromene-2,9-dione
1 reference
based on heuristic
inferred from SMILES
mass
354.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₅
0 references
canonical SMILES
O=C1OC2(C(=O)C3=COC(C=CC)=CC3=CC2=C1C(=O)CCCCC)C
0 references
isomeric SMILES
C/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@@]3(C)C(=O)C2=CO1
0 references
found in taxon
Monascus purpureus
2 references
stated in
New monascus metabolite isolated from red yeast rice (angkak, red koji).
stated in
722. The chemistry of fungi. Part XXXVII. The structure of rubropunctatin
Monascus pilosus
1 reference
stated in
Azaphilones, furanoisophthalides, and amino acids from the extracts of Monascus pilosus-fermented rice (red-mold rice) and their chemopreventive effects
Identifiers
InChI
InChI=1S/C21H22O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1
0 references
InChIKey
SULYDLFVUNXAMP-WKOQKXSESA-N
0 references
CAS Registry Number
514-67-0
0 references
ChemSpider ID
4954878
0 references
PubChem CID
6452445
1 reference
matched by identifier from
InChIKey
InChIKey
SULYDLFVUNXAMP-WKOQKXSESA-N
ChEBI ID
227418
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H22O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1
UniChem compound ID
653468
1 reference
stated in
UniChem
KNApSAcK ID
C00053755
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SULYDLFVUNXAMP-WKOQKXSESA-N
Natural Product Atlas ID
NPA017529
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SULYDLFVUNXAMP-WKOQKXSESA-N
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