input word = C00029653

Metabolite InformationStructural formula
Name Agosterol D2
Formula C33H52O8
Mw 576.36621864
CAS RN 236094-28-3
C_ID C00029653 ,
InChIKey VAWRLWFOBLNLGU-FWTWVQCTNA-N
InChICode InChI=1S/C33H52O8/c1-18(2)9-12-28(37)33(8,38)27-11-10-23-22-17-26(40-20(4)35)29-30(41-21(5)36)25(39-19(3)34)14-16-32(29,7)24(22)13-15-31(23,27)6/h17-18,23-30,37-38H,9-16H2,1-8H3/t23-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+/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]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
--Spongia sp. Ref.
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OrganismSpongia sp.
ReferenceTsukamoto,J.Nat.Med.,60,(2006),273