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(Q77512031)
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Brocazine E
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5,8,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,12-dione
1 reference
based on heuristic
inferred from SMILES
mass
424.07627836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₀N₂O₆S₂
0 references
canonical SMILES
O=C1N2C3C(O)C=CC(O)C3CC42SSC15N(C4=O)C6C(O)C=CC(O)C6C5
0 references
isomeric SMILES
C1[C@@H]2[C@H](C=C[C@@H]([C@H]2N3[C@]14C(=O)N5[C@H]6[C@H](C[C@]5(C3=O)SS4)[C@H](C=C[C@@H]6O)O)O)O
0 references
found in taxon
Penicillium brocae
1 reference
stated in
Brocazines A-F, Cytotoxic Bisthiodiketopiperazine Derivatives from Penicillium brocae MA-231, an Endophytic Fungus Derived from the Marine Mangrove Plant Avicennia marina
Identifiers
InChI
InChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-14,21-24H,5-6H2/t7-,8-,9+,10+,11+,12+,13+,14+,17-,18-/m1/s1
0 references
InChIKey
YCFNNAYJKHOFND-FQPNBHNHSA-N
2 references
stated in
PubChem
PubChem CID
118712035
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
118712035
language of work or name
English
PubChem CID
118712035
2 references
stated in
PubChem
PubChem CID
118712035
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YCFNNAYJKHOFND-FQPNBHNHSA-N
ChEBI ID
226489
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-14,21-24H,5-6H2/t7-,8-,9+,10+,11+,12+,13+,14+,17-,18-/m1/s1
UniChem compound ID
144598150
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012917
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YCFNNAYJKHOFND-FQPNBHNHSA-N
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