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English
Sclerotiotide H/I/J/K
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
6,7-dihydroxy-N-(2-hydroxy-6-isopropyl-3,4,7-trimethyl-5,8-dioxo-1,4,7-triazacyclododec-1-en-9-yl)octa-2,4-dienamide
1 reference
based on heuristic
inferred from SMILES
mass
466.279134936
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Sclerotiotide H
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₈N₄O₆
0 references
canonical SMILES
CC(C)C1C(=O)N(C)C(C)C(=O)NCCCC(NC(=O)C=CC=CC(O)C(C)O)C(=O)N1C
0 references
isomeric SMILES
CC(O)C(O)/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
0 references
found in taxon
Aspergillus sclerotiorum
1 reference
stated in
Cyclic tripeptides from the halotolerant fungus Aspergillus sclerotiorum PT06-1.
Identifiers
InChI
InChI=1S/C23H38N4O6/c1-14(2)20-23(33)26(5)15(3)21(31)24-13-9-10-17(22(32)27(20)6)25-19(30)12-8-7-11-18(29)16(4)28/h7-8,11-12,14-18,20,28-29H,9-10,13H2,1-6H3,(H,24,31)(H,25,30)/b11-7+,12-8+/t15-,16?,17-,18?,20-/m0/s1
0 references
InChIKey
DMCVGIKLKNPCAA-HIDOQYIDSA-N
2 references
stated in
PubChem
PubChem CID
46850008
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
46850008
language of work or name
English
PubChem CID
46850008
2 references
stated in
PubChem
PubChem CID
46850008
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DMCVGIKLKNPCAA-HIDOQYIDSA-N
ChEBI ID
207249
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H38N4O6/c1-14(2)20-23(33)26(5)15(3)21(31)24-13-9-10-17(22(32)27(20)6)25-19(30)12-8-7-11-18(29)16(4)28/h7-8,11-12,14-18,20,28-29H,9-10,13H2,1-6H3,(H,24,31)(H,25,30)/b11-7+,12-8+/t15-,16?,17-,18?,20-/m0/s1
UniChem compound ID
32879648
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009158
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DMCVGIKLKNPCAA-HIDOQYIDSA-N
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