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(Q77573361)
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English
Duocarmycin C1
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
indole alkaloid
0 references
mass
543.1408424719999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₂₆ClN₃O₈
0 references
canonical SMILES
O=C(OC)C1(NC2=C(O)C=C3C(=C2C1=O)CC(Cl)CN3C(=O)C4=CC=5C=C(OC)C(OC)=C(OC)C5N4)C
0 references
found in taxon
Streptomyces
1 reference
stated in
Structures of duocarmycins, novel antitumor antibiotics produced by Streptomyces sp.
Identifiers
InChI
InChI=1S/C26H26ClN3O8/c1-26(25(34)38-5)23(32)18-13-8-12(27)10-30(15(13)9-16(31)20(18)29-26)24(33)14-6-11-7-17(35-2)21(36-3)22(37-4)19(11)28-14/h6-7,9,12,28-29,31H,8,10H2,1-5H3
0 references
InChIKey
ILRQRCTVPANBBE-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
10030285
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10030285
language of work or name
English
PubChem CID
10030285
2 references
stated in
PubChem
PubChem CID
10030285
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ILRQRCTVPANBBE-UHFFFAOYSA-N
ChEBI ID
223998
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H26ClN3O8/c1-26(25(34)38-5)23(32)18-13-8-12(27)10-30(15(13)9-16(31)20(18)29-26)24(33)14-6-11-7-17(35-2)21(36-3)22(37-4)19(11)28-14/h6-7,9,12,28-29,31H,8,10H2,1-5H3
UniChem compound ID
32047383
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016736
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ILRQRCTVPANBBE-UHFFFAOYSA-N
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