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(Q77513393)
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English
Crossbyanol B
bioactive natural product
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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
chemical compound
0 references
mass
1,183.42885262
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₁₅Br₇O₁₂S₂
0 references
canonical SMILES
C1=CC(=C(C=C1OC2=CC(=C(C(=C2)Br)OC3=C(C(=C(C=C3)OS(=O)(=O)O)OC4=C(C=C(C=C4)Br)Br)Br)OC5=C(C=C(C=C5)Br)Br)Br)OS(=O)(=O)O
0 references
found in taxon
Leptolyngbya crossbyana
1 reference
stated in
Crossbyanols A-D, toxic brominated polyphenyl ethers from the Hawai'ian bloom-forming Cyanobacterium Leptolyngbya crossbyana
Identifiers
InChI
InChI=1S/C30H15Br7O12S2/c31-14-1-4-22(18(33)9-14)45-27-13-17(44-16-3-6-24(20(35)11-16)48-50(38,39)40)12-21(36)29(27)47-25-7-8-26(49-51(41,42)43)30(28(25)37)46-23-5-2-15(32)10-19(23)34/h1-13H,(H,38,39,40)(H,41,42,43)
0 references
InChIKey
PGLDWZUFBSDOEM-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
46211029
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
46211029
language of work or name
English
PubChem CID
46211029
2 references
stated in
PubChem
PubChem CID
46211029
language of work or name
English
matched by identifier from
InChIKey
InChIKey
PGLDWZUFBSDOEM-UHFFFAOYSA-N
ChEBI ID
227390
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H15Br7O12S2/c31-14-1-4-22(18(33)9-14)45-27-13-17(44-16-3-6-24(20(35)11-16)48-50(38,39)40)12-21(36)29(27)47-25-7-8-26(49-51(41,42)43)30(28(25)37)46-23-5-2-15(32)10-19(23)34/h1-13H,(H,38,39,40)(H,41,42,43)
UniChem compound ID
251189
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201047489
1 reference
matched by identifier from
InChIKey
InChIKey
PGLDWZUFBSDOEM-UHFFFAOYSA-N
Natural Product Atlas ID
NPA013138
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PGLDWZUFBSDOEM-UHFFFAOYSA-N
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