CHEBI:226525 - Sterenoid F

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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 Sterenoid F
ChEBI ID CHEBI:226525
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O3
Net Charge 0
Average Mass 456.711
Monoisotopic Mass 456.36035
InChI InChI=1S/C30H48O3/c1-19(2)10-9-11-20(3)21-12-15-27(7)23(28(21,8)32)18-30-26(6)16-14-24(31)25(4,5)22(26)13-17-29(27,30)33-30/h10,20-23,32H,9,11-18H2,1-8H3/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m1/s1
InChIKey LCLHVBYYWHOCFI-IYRKMPEVSA-N
SMILES O=C1C([C@H]2[C@]([C@]34O[C@]3([C@@]5(CC[C@@H]([C@]([C@@H]5C4)(O)C)[C@@H](CCC=C(C)C)C)C)CC2)(C)CC1)(C)C
Metabolite of Species Details
Stereumspecies (NCBI:txid1849817) See: PubMed
ChEBI Ontology
Outgoing Sterenoid F (CHEBI:226525) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1S,2S,7R,10S,11R,14R,15R,16R)-15-hydroxy-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]-18-oxapentacyclo[8.7.1.01,10.02,7.011,16]octadecan-5-one
Manual Xref Database
78441591 ChemSpider
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