input word = C00049604

Metabolite InformationStructural formula
Name 27-Hydroxybullatacin
(+)-27-Hydroxybullatacin
Formula C37H66O8
Mw 638.47576908
CAS RN 231297-73-7
C_ID C00049604 ,
InChIKey AJWQQZIFWOFRRM-TYMVTHGUNA-N
InChICode InChI=1S/C37H66O8/c1-3-4-5-10-13-16-29(38)19-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)18-15-12-9-7-6-8-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29-,30+,31+,32-,33+,34+,35+,36+/m0/s1
SMILES CCCCCCC[C@H](O)CC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona glabra Ref.
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OrganismAnnona glabra
ReferenceLiu,J.Nat.Prod.,62,(1999),848