CHEBI:221673 - JBIR-136

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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 JBIR-136
ChEBI ID CHEBI:221673
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O5
Net Charge 0
Average Mass 374.477
Monoisotopic Mass 374.20932
InChI InChI=1S/C22H30O5/c1-11(2)7-8-17(24)22(5)13(4)27-21-18-14(9-12(3)19(21)22)20(25)16(26-6)10-15(18)23/h7,9,13,16-17,20,24-25H,8,10H2,1-6H3/t13-,16-,17-,20-,22-/m1/s1
InChIKey YTSDPGXQZGDXTJ-NWUSBDAISA-N
SMILES O=C1C2=C(C=C(C)C3=C2O[C@H](C)[C@@]3([C@H](O)CC=C(C)C)C)[C@@H](O)[C@@H](C1)OC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing JBIR-136 (CHEBI:221673) is a naphthofuran (CHEBI:39270)
IUPAC Name
(2R,3S,6R,7R)-6-hydroxy-3-[(1R)-1-hydroxy-4-methylpent-3-enyl]-7-methoxy-2,3,4-trimethyl-2,6,7,8-tetrahydrobenzo[g][1]benzouran-9-one