input word = C00057731

Metabolite InformationStructural formula
Name Tashironin A
Formula C22H30O6
Mw 390.20423869
CAS RN 1003868-91-4
C_ID C00057731
InChIKey SGFRFWVBCRSHNZ-GKRFIZMWSA-N
InChICode InChI=1S/C22H30O6/c1-12-6-5-7-14(12)16(24)28-22-17(25)20-10-15(23)19(22,4)18(3,11-27-22)21(20,26)9-8-13(20)2/h13,17,25-26H,5-11H2,1-4H3/t13-,17-,18-,19-,20+,21+,22+/m1/s1
SMILES CC1=C(C(=O)O[C@]23OC[C@@]4(C)[C@@]5(O)CC[C@@H](C)[C@@]5(CC(=O)[C@@]24C)[C@H]3O)CCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIlliciaceaeIllicium verum Ref.
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