CHEBI:202699 - Lolitrem N

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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 Lolitrem N
ChEBI ID CHEBI:202699
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H49NO7
Net Charge 0
Average Mass 619.799
Monoisotopic Mass 619.35090
InChI InChI=1S/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21-,23-,25-,27+,29-,30?,34+,35+,36-,37-/m0/s1
InChIKey GIHSQRKLXKCZNX-AHQIXCDGSA-N
SMILES O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68OC8[C@H](O)[C@H](O7)C(O)(C)C)C)O)C=C2)C[C@H]9[C@@H]1C(OC9(C)C)(C)C
Metabolite of Species Details
Neotyphodium (NCBI:txid45284) See: PubMed
ChEBI Ontology
Outgoing Lolitrem N (CHEBI:202699) is a organic heterotricyclic compound (CHEBI:26979)
Lolitrem N (CHEBI:202699) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2S,3R,6S,8S,9R,12S,13S,16S,22S,26R)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one
Manual Xref Database
78439642 ChemSpider
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