CHEBI:191421 - Ganodermic acid Jb

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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 Ganodermic acid Jb
ChEBI ID CHEBI:191421
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O4
Net Charge 0
Average Mass 470.694
Monoisotopic Mass 470.33961
InChI InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-25,31-32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+
InChIKey VFCVARJMDQZNKD-VXLYETTFSA-N
SMILES OC1C2(C(C(C1)C(CC/C=C(\C)/C(O)=O)C)(CC=C3C4(C(C(C(O)CC4)(C)C)CC=C23)C)C)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing Ganodermic acid Jb (CHEBI:191421) is a triterpenoid (CHEBI:36615)
IUPAC Name
(E)-6-(3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Manual Xrefs Databases
28424081 ChemSpider
HMDB0035334 HMDB
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