input word = C00029651

Metabolite InformationStructural formula
Name Agosterol C2
Formula C31H50O7
Mw 534.35565395
CAS RN 603113-61-7
C_ID C00029651 ,
InChIKey QMQNFJMSMKJMCR-GSXHGQSUNA-N
InChICode InChI=1S/C31H50O7/c1-17(2)8-11-26(35)31(7,36)25-10-9-21-20-16-24(37-18(3)32)27-28(38-19(4)33)23(34)13-15-30(27,6)22(20)12-14-29(21,25)5/h16-17,21-28,34-36H,8-15H2,1-7H3/t21-,22-,23-,24+,25-,26+,27-,28-,29-,30+,31+/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)C=C3[C@H](CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@H]34)[C@@]2(C)CC[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
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