CHEBI:215733 - Terreusterpene B

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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 Terreusterpene B
ChEBI ID CHEBI:215733
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38O10
Net Charge 0
Average Mass 546.613
Monoisotopic Mass 546.24650
InChI InChI=1S/C29H38O10/c1-14(30)37-17-10-11-29-16-13-26(5)27(6,21(32)28(7,39-26)22(33)36-9)19(20(31)35-8)25(16,4)12-15(38-23(29)34)18(29)24(17,2)3/h13,15,17-19H,10-12H2,1-9H3/t15-,17-,18+,19-,25-,26+,27+,28+,29+/m0/s1
InChIKey PTFJEMZXUZKAKS-OSUWAKPISA-N
SMILES O=C1O[C@H]2C[C@]3(C([C@]14[C@H]2C([C@@H](OC(=O)C)CC4)(C)C)=C[C@]5(O[C@](C(=O)OC)(C)C([C@@]5(C)[C@H]3C(=O)OC)=O)C)C
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Terreusterpene B (CHEBI:215733) is a naphthofuran (CHEBI:39270)
IUPAC Name
dimethyl (1S,4R,6R,8S,9S,10R,12S,13R,15S)-15-acetyloxy-4,6,8,10,14,14-hexamethyl-7,18-dioxo-5,19-dioxapentacyclo[10.5.2.01,13.02,10.04,8]nonadec-2-ene-6,9-dicarboxylate