input word = C00035590

Metabolite InformationStructural formula
Name Diospyrosooleanolide
Formula C39H54O6
Mw 618.39203946
CAS RN 763932-83-8
C_ID C00035590 ,
InChIKey COXCAJRRPRVGMU-PYWYFGALNA-N
InChICode InChI=1S/C39H54O6/c1-34(2)18-20-39-21-19-37(6)25(30(39)32(34)45-33(39)43)13-14-28-36(5)22-26(41)31(35(3,4)27(36)16-17-38(28,37)7)44-29(42)15-10-23-8-11-24(40)12-9-23/h8-12,15,25-28,30-32,40-41H,13-14,16-22H2,1-7H3/b15-10+/t25-,26-,27+,28-,30-,31+,32-,36+,37-,38-,39+/m1/s1
SMILES CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H](O)[C@H](OC(=O)/C=C/c7ccc(O)cc7)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros angustifolia Ref.
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