input word = C00002081

Metabolite InformationStructural formula
Name Auriculine
Formula C31H45NO8
Mw 559.31451742
CAS RN 22595-00-2
C_ID C00002081 ,
InChIKey FQXZITIIHQHGBC-XPSFXJEONA-N
InChICode InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22-,24-,25-,26+,27+,28+,31+/m1/s1
SMILES [C@H]12N(CC[C@@H]1COC(=O)c1cc(c(c(c1)CC=C(C)C)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)CC=C(C)C)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeLiparis auriculata Ref.
PlantaeOrchidaceaeLiparis loeselii Ref.
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