input word = C00035039

Metabolite InformationStructural formula
Name Aegicerin
Formula C30H48O3
Mw 456.3603454
CAS RN 2749-23-7
C_ID C00035039 ,
InChIKey HAORCLCFRZGQJZ-RHSNGVRBNA-N
InChICode InChI=1S/C30H48O3/c1-24(2)14-15-29-18-33-30(21(29)16-24)13-9-20-26(5)11-10-22(31)25(3,4)19(26)8-12-27(20,6)28(30,7)17-23(29)32/h19-22,31H,8-18H2,1-7H3/t19-,20+,21+,22-,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@]3(CC1)[C@H]1[C@@](C(=O)C2)(CCC(C1)(C)C)CO3)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeAegiceras majus Gaertn Ref.
PlantaeMyrsinaceaeEmbelia schimperi Ref.
PlantaeTheophrastaceaeClavija procera Ref.
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OrganismEmbelia schimperi
ReferenceManguro,Phytochem.,67,(2006),2641