input word = C00049781

Metabolite InformationStructural formula
Name Carolin C
Formula C35H62O7
Mw 594.44955433
CAS RN 201167-33-1
C_ID C00049781 ,
InChIKey XJTBKNFACRAPEK-UHFFFAOYNA-N
InChICode InChI=1S/C35H62O7/c1-3-4-5-13-17-28(36)18-15-20-30(38)32-22-24-34(42-32)33-23-21-31(41-33)29(37)19-14-11-9-7-6-8-10-12-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3/t26-,28+,29+,30+,31-,32+,33-,34+/m0/s1
SMILES C1[C@@H](O[C@H](C1)[C@@H]1CC[C@H](O1)[C@@H](CCCCCCCCCCC1=C[C@@H](OC1=O)C)O)[C@@H](CCC[C@@H](CCCCCC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona spinescens Ref.
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