input word = C00013160

Metabolite InformationStructural formula
Name Rzedowskin D
[3R-[3alpha,5beta,5aalpha,6alpha(E),7beta,9beta,9aalpha,10R*]]-5-(Acetyloxy)octahydro-7,9-dihydroxy-2,2,5a,9-tetramethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid
Formula C32H37NO9
Mw 579.24683179
CAS RN 117677-26-6
C_ID C00013160 ,
InChIKey VOPIONKNVUFWFB-IQVMLYBCNA-N
InChICode InChI=1S/C32H37NO9/c1-19(34)39-24-16-22-26(41-28(37)21-12-9-15-33-18-21)32(42-29(22,2)3)30(4,38)17-23(35)27(31(24,32)5)40-25(36)14-13-20-10-7-6-8-11-20/h6-15,18,22-24,26-27,35,38H,16-17H2,1-5H3/b14-13+/t22-,23-,24+,26+,27+,30+,31-,32+/m1/s1
SMILES CC(=O)O[C@H]1C[C@@H]2C(OC(=O)c3cccnc3)[C@@]3(OC2(C)C)[C@@]1(C)[C@@H](OC(=O)/C=C/c1ccccc1)[C@H](O)C[C@]3(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeOrthosphenia mexicana Ref.
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