input word = C00028205

Metabolite InformationStructural formula
Name Discarine F
N-Desmethyladouetine X
Formula C27H42N4O4
Mw 486.32060586
CAS RN 96562-84-4
C_ID C00028205 ,
InChIKey JBENRVVYMWZSLC-CCEZHUSRNA-N
InChICode InChI=1S/C27H42N4O4/c1-8-17(5)21(28-7)26(33)31-23-24(16(3)4)35-20-12-10-19(11-13-20)14-15-29-25(32)22(18(6)9-2)30-27(23)34/h10-18,21-24,28H,8-9H2,1-7H3,(H,29,32)(H,30,34)(H,31,33)/b15-14+/t17-,18-,21-,22+,23-,24-/m1/s1
SMILES c1cc2/C=C/NC(=O)[C@@H](NC(=O)[C@@H]([C@H](Oc1cc2)C(C)C)NC(=O)[C@@H]([C@@H](CC)C)NC)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeDiscaria febrifuga Ref.
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