CHEBI:169799 - Stoloniferone 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 Stoloniferone F
ChEBI ID CHEBI:169799
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O5
Net Charge 0
Average Mass 462.671
Monoisotopic Mass 462.33452
InChI InChI=1S/C28H46O5/c1-15(2)16(3)7-8-17(4)19-9-10-20-18-13-23(31)28(33)12-11-21(29)25(32)27(28,6)24(18)22(30)14-26(19,20)5/h11-12,15-24,29-31,33H,7-10,13-14H2,1-6H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,26+,27-,28-/m0/s1
InChIKey MCEHIUSRVOSOFI-PPEGKMTJSA-N
SMILES O[C@H]1[C@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](C(C)C)C)C)[H])(C1)C)[H])(C[C@@H](O)[C@]4(O)[C@@]2(C(=O)[C@H](O)C=C4)C)[H])[H]
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Stoloniferone F (CHEBI:169799) is a ergostanoid (CHEBI:50403)
IUPAC Name
(2R,5R,6R,8S,9S,10R,11R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-2,5,6,11-tetrahydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-1-one
Manual Xrefs Databases
9256219 ChemSpider
LMST01031092 LIPID MAPS
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