input word = C00029656

Metabolite InformationStructural formula
Name Agosterol F
Formula C31H50O7
Mw 534.35565395
CAS RN 255830-16-1
C_ID C00029656 ,
InChIKey NOWCAXXOVHJADO-IJVUOWQDNA-N
InChICode InChI=1S/C31H50O7/c1-16(2)8-11-23(34)17(3)21-9-10-22-20-14-26(37-18(4)32)28-29(38-19(5)33)24(35)12-13-30(28,6)27(20)25(36)15-31(21,22)7/h14,16-17,21-29,34-36H,8-13,15H2,1-7H3/t17-,21+,22-,23+,24-,25+,26+,27+,28-,29-,30+,31+/m0/s1
SMILES C1[C@@H]([C@@H]([C@H]2[C@](C1)([C@@H]1C(=C[C@H]2OC(=O)C)[C@H]2[C@](C[C@H]1O)([C@H](CC2)[C@@H]([C@@H](CCC(C)C)O)C)C)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
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