input word = C00013167

Metabolite InformationStructural formula
Name Cathedulin 8
Cathedulin E 8
Catheduline E 8
(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha)-[6,7-bis(Acetyloxy)-5-(benzoyloxy)octahydro-4-hydroxy-2,2,9-trimethyl-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester 3-pyridinecarboxylic acid
Formula C32H37NO10
Mw 595.24174641
CAS RN 61166-34-5
C_ID C00013167 ,
InChIKey KJTLLJIFKAOOJH-UHFFFAOYNA-N
InChICode InChI=1S/C32H37NO10/c1-18-14-24(40-19(2)34)26(41-20(3)35)31(17-39-28(37)22-12-9-13-33-16-22)27(42-29(38)21-10-7-6-8-11-21)25(36)23-15-32(18,31)43-30(23,4)5/h6-13,16,18,23-27,36H,14-15,17H2,1-5H3/t18-,23-,24-,25+,26-,27-,31-,32-/m0/s1
SMILES [C@H]12[C@H]([C@@H]([C@]3([C@]([C@H](C[C@@H]([C@@H]3OC(=O)C)OC(=O)C)C)(OC1(C)C)C2)COC(=O)c1cnccc1)OC(=O)c1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCatha edulis Ref.
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