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(Q77376220)
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English
Halawanone A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
442.126382284
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₂O₉
0 references
canonical SMILES
O=C1C=C(C(=O)C=2C(O)=C3C(=CC12)C4OC(=O)CC4OC3CC)C5OC(C(=O)C(O)C5)C
0 references
isomeric SMILES
CC[C@@H]1C2=C(C3=C(C=C2[C@@H]4[C@H](O1)CC(=O)O4)C(=O)C=C(C3=O)[C@H]5C[C@H](C(=O)[C@H](O5)C)O)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/C23H22O9/c1-3-14-18-11(23-16(31-14)7-17(26)32-23)4-9-12(24)5-10(21(28)19(9)22(18)29)15-6-13(25)20(27)8(2)30-15/h4-5,8,13-16,23,25,29H,3,6-7H2,1-2H3/t8-,13-,14-,15-,16-,23-/m1/s1
0 references
InChIKey
VXCYZJAOJKUJMO-RBTFZBJXSA-N
2 references
stated in
PubChem
PubChem CID
10048979
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10048979
language of work or name
English
PubChem CID
10048979
2 references
stated in
PubChem
PubChem CID
10048979
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VXCYZJAOJKUJMO-RBTFZBJXSA-N
ChEBI ID
203222
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H22O9/c1-3-14-18-11(23-16(31-14)7-17(26)32-23)4-9-12(24)5-10(21(28)19(9)22(18)29)15-6-13(25)20(27)8(2)30-15/h4-5,8,13-16,23,25,29H,3,6-7H2,1-2H3/t8-,13-,14-,15-,16-,23-/m1/s1
UniChem compound ID
33026428
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA006146
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VXCYZJAOJKUJMO-RBTFZBJXSA-N
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