input word = C00049401

Metabolite InformationStructural formula
Name Spinencin
(+)-Spinencin
Formula C37H66O8
Mw 638.47576908
CAS RN 191089-81-3
C_ID C00049401 ,
InChIKey SWLPIUHJTSWWOJ-ITZGAEPCNA-N
InChICode InChI=1S/C37H66O8/c1-3-4-13-18-29(38)30(39)20-16-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)19-15-12-10-8-6-5-7-9-11-14-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30+,31+,32+,33+,34-,35+,36+/m0/s1
SMILES [C@@H]1(CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@@H](OC1=O)C)O)[C@H]1CC[C@H](O1)[C@@H](CCC[C@H]([C@@H](CCCCC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona spinescens Ref.
PlantaeAnnonaceaeGoniothalamus donnainesis Ref.
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