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CHEBI:222393 - Elfvingic acid H

Default Structure
ChEBI IDCHEBI:222393
ChEBI NameElfvingic acid H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O8
Net Charge0
Average Mass530.658
Monoisotopic Mass530.28797
SMILESC=C(C)C1C[C@H]2O[C@@]23C(=CC(=O)[C@]2(C)[C@@H](/C(C)=C\C(O)CC(C)C(=O)O)C[C@@H](O)[C@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C30H42O8/c1-15(2)19-13-24-30(38-24)21(27(19,5)9-8-25(34)35)14-22(32)28(6)20(12-23(33)29(28,30)7)16(3)10-18(31)11-17(4)26(36)37/h10,14,17-20,23-24,31,33H,1,8-9,11-13H2,2-7H3,(H,34,35)(H,36,37)/b16-10-/t17?,18?,19?,20-,23-,24-,27+,28+,29-,30+/m1/s1
InChIKeyIVUMPSQJAYHIRL-QWJOMPCZSA-N
ChEBI Ontology
Outgoing Relation(s)
Elfvingic acid H (CHEBI:222393) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z)-6-[(1R,2S,3R,5R,6R,10S,13R)-10-(2-carboxyethyl)-3-hydroxy-2,6,10-trimethyl-7-oxo-11-prop-1-en-2-yl-14-oxatetracyclo[7.5.0.01,13.02,6]tetradec-8-en-5-yl]-4-hydroxy-2-methylhept-5-enoic acid
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