input word = C00029648

Metabolite InformationStructural formula
Name Agosterol A
Formula C33H52O8
Mw 576.36621864
CAS RN 213549-32-7
C_ID C00029648 ,
InChIKey SUIRSZOPEPPNGJ-SXNISAMYNA-N
InChICode InChI=1S/C33H52O8/c1-17(2)9-12-25(37)18(3)23-10-11-24-22-15-28(40-20(5)35)30-31(41-21(6)36)27(39-19(4)34)13-14-32(30,7)29(22)26(38)16-33(23,24)8/h15,17-18,23-31,37-38H,9-14,16H2,1-8H3/t18-,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33+/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)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
--Spongia sp. Ref.
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OrganismAcanthodendrilla sp.
ReferenceTsukamoto,J.Nat.Med.,60,(2006),273