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CHEBI:214187 - TC-705B

ChEBI IDCHEBI:214187
ChEBI NameTC-705B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H45NO7
Net Charge0
Average Mass555.712
Monoisotopic Mass555.31960
SMILESCC(C)(O)C(O)Cc1ccc2c3c(nc2c1)[C@@]1(C)[C@@H](CC[C@@]2(O)[C@@]45O[C@@H]4[C@H](O)[C@@H](C(C)(C)O)O[C@H]5CC[C@@]21C)C3
InChIInChI=1S/C32H45NO7/c1-27(2,36)21(34)14-16-7-8-18-19-15-17-9-12-31(38)29(5,30(17,6)24(19)33-20(18)13-16)11-10-22-32(31)26(40-32)23(35)25(39-22)28(3,4)37/h7-8,13,17,21-23,25-26,33-38H,9-12,14-15H2,1-6H3/t17-,21?,22-,23+,25-,26+,29+,30+,31-,32-/m0/s1
InChIKeyFRHFDMBHFQCZDJ-MEDXOIOXSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (17183517)
ChEBI Ontology
Outgoing Relation(s)
TC-705B (CHEBI:214187) is a organic heterotricyclic compound (CHEBI:26979)
TC-705B (CHEBI:214187) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-21-(2,3-dihydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol
Manual XrefsDatabases
78438577ChemSpider