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 C1[C@]2([C@]3([C@H]4[C@](C1)([C@H]1[C@@]5([C@H]([C@H]4OC3=O)O5)[C@H]3[C@@](CC1)([C@H](CO3)N(C)C)C)CO2)C)O
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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OrganismIcacina guessfeldtii
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter19