input word = C00019490

Metabolite InformationStructural formula
Name Tormentic acid
2alpha,3beta,19alpha-Trihydroxyurs-12-en-28-oic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 13850-16-3
C_ID C00019490 ,
InChIKey OXVUXGFZHDKYLS-YVKRJDIMNA-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
PlantaeBoraginaceaeArnebia euchroma Ref.
PlantaeCecropiaceaeMusanga cecropioides Ref.
PlantaeLabiataePerilla frutescens (L.) Britton var.japonica Hara Ref.
PlantaeLamiaceaeColeus aromaticus Ref.
PlantaeOleaceaeOlea europaea Ref.
PlantaePolygonaceaeRumex japonicus Ref.
PlantaeRosaceaeChaenomeles sinensis KOEHNE Ref.
PlantaeRosaceaeCotoneaster simonsii Ref.
PlantaeRosaceaePotentilla tormentilla Ref.
PlantaeRosaceaeRosa laevigata Ref.
PlantaeRosaceaeRubus cochichinensis Ref.
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