input word = C00030459

Metabolite InformationStructural formula
Name Hederagenin
Formula C30H48O4
Mw 472.35526002
CAS RN 465-99-6
C_ID C00030459 ,
InChIKey PGOYMURMZNDHNS-VHARFRNGNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/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)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
PlantaeDipsacaceaeCephalaria transsylvanica Ref.
PlantaeFabaceaeMedicago arabica Ref.
PlantaeFabaceaeMedicago arborea Ref.
PlantaeFabaceaeMedicago hybrida Ref.
PlantaeFabaceaeMedicago polymorpha Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeLabiataeAnisomeles indica Ref.
PlantaeLardizabalaceaeStauntonia hexahylla Ref.
PlantaeMeliaceaeSwietenia mahogani Ref.
PlantaeMyrtaceaeEugenia sandwicensis Ref.
PlantaePutranjivaceaeDrypetes molunduana Pax and Hoffm Ref.
PlantaeRubiaceaeMorinda citrifolia L. Ref.
PlantaeSapindaceaeBlighia sapida Koenig Ref.
PlantaeSapindaceaeSapindus mukorossi Ref.
--Ficaria verna Hudson Ref.
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