CHEBI:221660 - JBIR-137

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 JBIR-137
ChEBI ID CHEBI:221660
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H45NO4
Net Charge 0
Average Mass 567.770
Monoisotopic Mass 567.33486
InChI InChI=1S/C37H45NO4/c1-19(2)31-29(39)17-27-30(41-31)10-11-35(7)36(8)21(9-12-37(27,35)40)15-24-23-13-20-14-26-25(18-33(3,4)42-34(26,5)6)22(20)16-28(23)38-32(24)36/h13-14,16-18,21,29-31,38-40H,1,9-12,15H2,2-8H3
InChIKey QPVMSZXPNHZKRE-UHFFFAOYSA-N
SMILES O1C(C=2C(C=3C=C4NC=5C6(C7(C(O)(C8=CC(O)C(C(=C)C)OC8CC7)CCC6CC5C4=CC3C2)C)C)=CC1(C)C)(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing JBIR-137 (CHEBI:221660) is a organic heterotricyclic compound (CHEBI:26979)
JBIR-137 (CHEBI:221660) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,21,26,28-heptaene-9,12-diol