CHEBI:31048 - 100-1

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ChEBI Name 100-1
ChEBI ID CHEBI:31048
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H34O10
Net Charge 0
Average Mass 566.597
Monoisotopic Mass 566.21520
InChI InChI=1S/C31H34O10/c1-13-19(32)8-9-23(40-13)41-22-10-21(39-14(2)27(22)34)16-6-7-18-26(28(16)35)30(37)17-5-4-15-11-31(3,38)12-20(33)24(15)25(17)29(18)36/h4-7,13-14,19,21-23,27,32,34-35,38H,8-12H2,1-3H3/t13-,14+,19-,21+,22+,23-,27+,31+/m0/s1
InChIKey UHODELBZXFLXFX-UXUTXJLASA-N
SMILES C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@@H](O[C@H](C)[C@H]1O)c1ccc2C(=O)c3c(ccc4C[C@@](C)(O)CC(=O)c34)C(=O)c2c1O
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via angucycline )
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ChEBI Ontology
Outgoing 100-1 (CHEBI:31048) is a angucycline (CHEBI:48130)
Synonym Source
100-1 KEGG COMPOUND
Manual Xref Database
C12405 KEGG COMPOUND
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Last Modified
28 July 2014