CHEBI:217370 - Tandyukisin E

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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 Tandyukisin E
ChEBI ID CHEBI:217370
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H46O8
Net Charge 0
Average Mass 570.723
Monoisotopic Mass 570.31927
InChI InChI=1S/C33H46O8/c1-6-21(3)26-12-11-25-31(33(26,5)28(37)13-15-34)22(4)19-27(36)32(25)41-30(39)18-20(2)17-29(38)40-16-14-23-7-9-24(35)10-8-23/h7-12,18,21-22,25-27,31-32,34-36H,6,13-17,19H2,1-5H3/b20-18+/t21-,22-,25-,26-,27-,31+,32+,33-/m1/s1
InChIKey VOSSZFPYGNTGSP-NQGMEICISA-N
SMILES O=C(O[C@H]1[C@@H]2C=C[C@H]([C@@H](CC)C)[C@@]([C@H]2[C@H](C)C[C@H]1O)(C(=O)CCO)C)/C=C(/CC(=O)OCCC3=CC=C(O)C=C3)\C
Metabolite of Species Details
Trichoderma (NCBI:txid5543) See: DOI
ChEBI Ontology
Outgoing Tandyukisin E (CHEBI:217370) is a alcohol (CHEBI:30879)
Tandyukisin E (CHEBI:217370) is a phenols (CHEBI:33853)
IUPAC Name
1-O-[(1S,2R,4R,4aS,5S,6S,8aR)-6-[(2R)-butan-2-yl]-2-hydroxy-5-(3-hydroxypropanoyl)-4,5-dimethyl-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-1-yl] 5-O-[2-(4-hydroxyphenyl)ethyl] (E)-3-methylpent-2-enedioate
Manual Xref Database
58197345 ChemSpider
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