input word = C00031074

Metabolite InformationStructural formula
Name Pomolic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 13849-91-7
C_ID C00031074 ,
InChIKey ZZTYPLSBNNGEIS-FVVLLKQSNA-N
InChICode InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1
SMILES C1[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
PlantaeAquifoliaceaeIlex pubescens Ref.
PlantaeAraliaceaeCentella asiatica Ref.
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeLabiataePerilla frutescens (L.) Britton var.japonica Hara Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeLabiataeSalvia trijuga Ref.
PlantaeLamiaceaeColeus aromaticus Ref.
PlantaeMyrtaceaeSyzygium buxifolium Ref.
PlantaeOleaceaeOlea europaea Ref.
PlantaeRosaceaeChaenomeles japonica Ref.
PlantaeRosaceaeDuchesnea indica Ref.
PlantaeRosaceaePyrus malus L. Ref.
PlantaeRosaceaeSanguisorba officinalis Ref.
PlantaeVerbenaceaeLantana camara Ref.
--Trogopterus xanthipes Ref.
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OrganismPerilla frutescens (L.) Britton var.japonica Hara
ReferenceAkihisa,J.Nat.Med.,60,(2006),331