input word = C00029655

Metabolite InformationStructural formula
Name Agosterol E3
Formula C35H54O8
Mw 602.3818687
CAS RN 603113-60-6
C_ID C00029655 ,
InChIKey JFZZWXFXZSOMDK-YQWSFOGWNA-N
InChICode InChI=1S/C35H54O8/c1-10-24(19(2)3)17-28(39)20(4)25-11-12-26-27-18-30(42-22(6)37)31-32(43-23(7)38)29(41-21(5)36)13-14-34(31,9)35(27,40)16-15-33(25,26)8/h10,18-20,25-26,28-32,39-40H,11-17H2,1-9H3/b24-10+/t20-,25+,26-,28+,29-,30+,31-,32-,33+,34-,35+/m0/s1
SMILES C1[C@@H]([C@@H]([C@H]2[C@](C1)([C@@]1(C(=C[C@H]2OC(=O)C)[C@H]2[C@](CC1)([C@H](CC2)[C@@H]([C@@H](C/C(=C\C)/C(C)C)O)C)C)O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
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