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English
Halawanone D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic anthraquinones
0 references
mass
398.136553044
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₂O₇
0 references
canonical SMILES
O=C1C=2C=CC=C(O)C2C(=O)C=3C1=CC(OC4OC(C)C(O)C(O)C4)=CC3CC
0 references
isomeric SMILES
CCC1=C2C(=CC(=C1)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)C(=O)C4=C(C2=O)C(=CC=C4)O
0 references
found in taxon
Streptomyces
2 references
stated in
Halawanones A-D, new polycyclic quinones from a marine-derived streptomycete
stated in
Halawanones A-D, new polycyclic quinones from a marine-derived streptomycete
Identifiers
InChI
InChI=1S/C22H22O7/c1-3-11-7-12(29-17-9-16(24)20(25)10(2)28-17)8-14-18(11)22(27)19-13(21(14)26)5-4-6-15(19)23/h4-8,10,16-17,20,23-25H,3,9H2,1-2H3/t10-,16-,17+,20-/m1/s1
0 references
InChIKey
XAPCBICNZSELEW-OKZQZZHASA-N
2 references
stated in
PubChem
PubChem CID
10501038
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10501038
language of work or name
English
PubChem CID
10501038
2 references
stated in
PubChem
PubChem CID
10501038
language of work or name
English
matched by identifier from
InChIKey
InChIKey
XAPCBICNZSELEW-OKZQZZHASA-N
ChEBI ID
201611
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H22O7/c1-3-11-7-12(29-17-9-16(24)20(25)10(2)28-17)8-14-18(11)22(27)19-13(21(14)26)5-4-6-15(19)23/h4-8,10,16-17,20,23-25H,3,9H2,1-2H3/t10-,16-,17+,20-/m1/s1
UniChem compound ID
33423243
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004461
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XAPCBICNZSELEW-OKZQZZHASA-N
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