input word = C00042540

Metabolite InformationStructural formula
Name Gardnerilin B
(+)-Gardnerilin B
Formula C35H66O6
Mw 582.48593984
CAS RN 220039-85-0
C_ID C00042540 ,
InChIKey CKDCUELGODZXPM-OXXBBVSVNA-N
InChICode InChI=1S/C35H66O6/c1-3-4-5-6-7-8-9-10-11-12-13-20-25-33(38)34(39)26-21-15-14-17-22-31(36)23-18-16-19-24-32(37)28-30-27-29(2)41-35(30)40/h27,29,31-34,36-39H,3-26,28H2,1-2H3/t29-,31-,32+,33-,34-/m0/s1
SMILES [C@@H]1(C=C(C(=O)O1)C[C@@H](CCCCC[C@H](CCCCCC[C@@H]([C@H](CCCCCCCCCCCCCC)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeGoniothalamus gardneri Ref.
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