input word = C00001646

Metabolite InformationStructural formula
Name Icacine
Formula C22H31NO6
Mw 405.21513773
CAS RN 64999-57-1
C_ID C00001646 ,
InChIKey VSTATNJCZCHFTM-HGHKHPTDNA-N
InChICode InChI=1S/C22H31NO6/c1-18-6-5-11-20-7-8-21(25,27-10-20)19(2)14(20)13(28-17(19)24)15-22(11,29-15)16(18)26-9-12(18)23(3)4/h11-16,25H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16+,18-,19-,20-,21-,22+/m0/s1
SMILES CN(C)[C@H]1CO[C@@H]2[C@@]1(C)CC[C@H]1[C@]34CC[C@](O)(OC3)[C@]3(C)C(=O)O[C@@H]([C@H]43)[C@@H]3O[C@@]231
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeIcacinaceaeIcacina guesfeldtii Ref.
PlantaeIcacinaceaeIcacina guessfeldtii Ref.
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