input word = C00049780

Metabolite InformationStructural formula
Name Carolin B
Formula C37H66O7
Mw 622.48085446
CAS RN 201167-32-0
C_ID C00049780 ,
InChIKey XZNOZEYKFBKGEY-UHFFFAOYNA-N
InChICode InChI=1S/C37H66O7/c1-3-4-13-19-30(38)20-16-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-15-12-10-8-6-5-7-9-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31-,32-,33+,34-,35-,36+/m1/s1
SMILES C1[C@@H](O[C@@H](C1)[C@H]1CC[C@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](OC1=O)C)O)[C@@H](CCCC[C@H](CCCCC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona spinescens Ref.
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OrganismAnnona spinescens
ReferenceQueiroz,J.Nat.Prod.,61,(1998),34