input word = C00029654

Metabolite InformationStructural formula
Name Agosterol E
Formula C33H52O8
Mw 576.36621864
CAS RN 603113-59-3
C_ID C00029654 ,
InChIKey NWKRMGGGFWXFNQ-MXWXCGPCNA-N
InChICode InChI=1S/C33H52O8/c1-18(2)9-12-26(37)19(3)23-10-11-24-25-17-28(40-21(5)35)29-30(41-22(6)36)27(39-20(4)34)13-14-32(29,8)33(25,38)16-15-31(23,24)7/h17-19,23-24,26-30,37-38H,9-16H2,1-8H3/t19-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33+/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](CCC(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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