CHEBI:214187 - TC-705B

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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 TC-705B
ChEBI ID CHEBI:214187
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H45NO7
Net Charge 0
Average Mass 555.712
Monoisotopic Mass 555.31960
InChI InChI=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
InChIKey FRHFDMBHFQCZDJ-MEDXOIOXSA-N
SMILES O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=C(CC(O)C(O)(C)C)C=CC7C6C5)C)C)O2
Metabolite of Species Details
Tolypocladium (NCBI:txid29909) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78438577 ChemSpider
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