input word = C00055371

Metabolite InformationStructural formula
Name Bullacin B
Formula C37H66O7
Mw 622.48085446
CAS RN 210230-74-3
C_ID C00055371
InChIKey QUGFUBNTTOOGMC-UOCXRWNNSA-N
InChICode InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-16-13-10-9-11-14-19-30(38)20-17-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31+,32+,33+,34+,35+,36+/m0/s1
SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCC[C@@H](O)CCCC3=C[C@H](C)OC3=O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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