CHEBI:188825 - radicicol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name radicicol B
ChEBI ID CHEBI:188825
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H19ClO7
Net Charge 0
Average Mass 382.790
Monoisotopic Mass 382.08193
InChI InChI=1S/C18H19ClO7/c1-9-6-13(22)12(21)5-3-2-4-10(20)7-11-16(18(25)26-9)14(23)8-15(24)17(11)19/h2-5,8-9,12-13,21-24H,6-7H2,1H3/b4-2+,5-3+/t9-,12+,13+/m1/s1
InChIKey CLGQXJMBZGYSJL-WDWNAMKLSA-N
SMILES ClC=1C2=C(C(O[C@@H](C[C@H](O)[C@@H](O)C=CC=CC(=O)C2)C)=O)C(O)=CC1O
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
Humicola (NCBI:txid5526) See: PubMed
ChEBI Ontology
Outgoing radicicol B (CHEBI:188825) is a macrolide (CHEBI:25106)
IUPAC Names
(4R)-15-chloro-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),8,10,15,17-pentaene-2,12-dione
(4R,6S,7S,8E,10E)-15-chloro-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),8,10,15,17-pentaene-2,12-dione