CHEBI:214993 - Takanawaene C

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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 Takanawaene C
ChEBI ID CHEBI:214993
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H54O8
Net Charge 0
Average Mass 578.787
Monoisotopic Mass 578.38187
InChI InChI=1S/C33H54O8/c1-22(2)32-23(3)15-12-10-8-6-7-9-11-13-18-29(37)24(4)30(38)21-28(36)19-26(34)16-14-17-27(35)20-31(39)25(5)33(40)41-32/h6-13,15,18,22-32,34-39H,14,16-17,19-21H2,1-5H3/b7-6-,10-8-,11-9-,15-12-,18-13-
InChIKey IAGPWEVRXPPSEQ-DISGBCGLSA-N
SMILES O=C1OC(C(C=CC=CC=CC=CC=CC(O)C(C(CC(CC(CCCC(CC(C1C)O)O)O)O)O)C)C)C(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Takanawaene C (CHEBI:214993) is a macrolide (CHEBI:25106)
IUPAC Name
(17Z,19Z,21Z,23Z,25Z)-4,6,10,12,14,16-hexahydroxy-3,15,27-trimethyl-28-propan-2-yl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Manual Xref Database
78444419 ChemSpider
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