input word = C00059835

Metabolite InformationStructural formula
Name 28-Nor-5xi-14beta-dammara-1,17(20),24-trien-21-oic acid, 3,7beta,16beta-trihydroxy-6-oxo-, 7,16-diacetate
Formula C33H46O8
Mw 570.31926845
CAS RN 13957-81-8
C_ID C00059835
InChIKey RICFSEYYLNDXEY-AOBZIXCHSA-N
InChICode InChI=1S/C33H46O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22-25,27-28,36H,9,11-13,16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,23?,24+,25+,27-,28+,31-,32+,33-/m1/s1
SMILES CC(=O)OC1CC2(C)C(CCC3C4(C)C=CC(O)C(C)C4C(OC(C)=O)C(=O)C32C)C1=C(CCC=C(C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
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