CHEBI:205992 - Trichodin B

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 Trichodin B
ChEBI ID CHEBI:205992
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H33NO7
Net Charge 0
Average Mass 471.550
Monoisotopic Mass 471.22570
InChI InChI=1S/C26H33NO7/c1-12-8-13(2)20-17(9-12)14(3)32-24-18(10-27-25(31)21(20)24)15-4-6-16(7-5-15)33-26-23(30)22(29)19(11-28)34-26/h4-7,10,12-14,17,19-20,22-23,26,28-30H,8-9,11H2,1-3H3,(H,27,31)/t12-,13+,14+,17+,19-,20-,22-,23-,26-/m1/s1
InChIKey SGKUMWDVOMIFEH-FQTRRYKSSA-N
SMILES O=C1NC=C(C2=CC=C(O[C@@H]3O[C@H](CO)[C@H]([C@H]3O)O)C=C2)C4=C1[C@H]5[C@@H](C[C@H](C)C[C@@H]5C)[C@@H](O4)C
Metabolite of Species Details
Trichoderma (NCBI:txid5543) See: PubMed
ChEBI Ontology
Outgoing Trichodin B (CHEBI:205992) is a glycoside (CHEBI:24400)
IUPAC Name
(6S,6aR,8R,10S,10aR)-4-[4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-6,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydroisochromeno[4,3-c]pyridin-1-one
Manual Xref Database
32674781 ChemSpider
View more database links