input word = C00019491

Metabolite InformationStructural formula
Name Euscaphic acid
Euscophic acid
Jacarandic acid
2alpha,3alpha,19alpha-Trihydroxyurs-12-en-28-oic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 53155-25-2
C_ID C00019491 ,
InChIKey OXVUXGFZHDKYLS-SGCGZWIHNA-N
InChICode InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23-,26+,27-,28-,29-,30+/m1/s1
SMILES [C@@H]1([C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)O)C)C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeJacaranda caucana Ref.
PlantaeCecropiaceaeMusanga cecropioides Ref.
PlantaeCecropiaceaeMyrianthus arboreus Ref.
PlantaeLabiataeSalvia trijuga Ref.
PlantaeLamiaceaeColeus amboinicus Ref.
PlantaeLamiaceaeColeus aromaticus Ref.
PlantaeLythraceaeLawsonia inermis Ref.
PlantaeRosaceaeChaenomeles sinensis KOEHNE Ref.
PlantaeRosaceaeCotoneaster simonsii Ref.
PlantaeRosaceaeRosa multiflora Ref.
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
PlantaeRosaceaeSanguisorba officinalis Ref.
PlantaeStaphyleaceaeEuscaphis japonica Ref.
PlantaeTheaceae/Pentaphylacaceae/TernstroemiaceaeTernstroemia gymnanthera Ref.
--Eribotrya japonica Ref.
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