input word = C00047098

Metabolite InformationStructural formula
Name Stephanotic acid
Formula C33H46N6O7
Mw 638.34279787
CAS RN 268541-40-8
C_ID C00047098 ,
InChIKey UZOLEYGIZGZREX-NISZBAHGNA-N
InChICode InChI=1S/C33H46N6O7/c1-7-17(6)27-31(43)37-26(16(4)5)30(42)36-23(33(45)46)13-19-14-34-22-12-18(8-9-20(19)22)25(15(2)3)28(32(44)38-27)39-29(41)21-10-11-24(40)35-21/h8-9,12,14-17,21,23,25-28,34H,7,10-11,13H2,1-6H3,(H,35,40)(H,36,42)(H,37,43)(H,38,44)(H,39,41)(H,45,46)/t17-,21-,23-,25+,26-,27-,28-/m0/s1
SMILES c1c2cc3c(c1)c(c[nH]3)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H]2C(C)C)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)C(C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeStephanotis floribunda Ref.
zoom in