CHEBI:203995 - Udalactarane 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 Udalactarane B
ChEBI ID CHEBI:203995
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H40O5
Net Charge 0
Average Mass 480.645
Monoisotopic Mass 480.28757
InChI InChI=1S/C30H40O5/c1-17-20-13-26(4,9-19(20)10-27(5)6-7-30(17,27)33)16-34-24-29-15-28(29,23(32)35-24)11-18-8-25(2,3)12-21(18)22(29)14-31/h14,18-19,24,33H,6-13,15-16H2,1-5H3/t18-,19-,24-,26-,27-,28+,29+,30-/m0/s1
InChIKey JVSGWCCMXPFMRE-FSLYMZMOSA-N
SMILES O=C1O[C@H](OC[C@@]2(CC3=C([C@@]4(O)CC[C@]4(C[C@@H]3C2)C)C)C)[C@]56[C@]1(C[C@@H]7CC(C)(C)CC7=C5C=O)C6
Metabolite of Species Details
Phlebia uda (NCBI:txid98779) See: PubMed
ChEBI Ontology
Outgoing Udalactarane B (CHEBI:203995) is a terpene lactone (CHEBI:37668)
IUPAC Name
(1S,7S,9S,12S)-12-[[(3R,6S,8S,10S)-3-hydroxy-2,6,10-trimethyl-10-tricyclo[6.3.0.03,6]undec-1-enyl]methoxy]-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]tridec-2-ene-2-carbaldehyde
Manual Xref Database
78437080 ChemSpider
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