input word = C00059076

Metabolite InformationStructural formula
Name (1S,2S,3S,5aS,10aR)-1,5a,6,7,8,10a-hexahydro-1'-(3-hydroperoxy-3-methyl-1-buten-1-yl)-1,10a-dihydroxy-6'-methoxy-3-(2-methyl-1-propen-1-yl)-spiro[5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2(3H),3'-[3H]indole]-2',5,10(1'H)-trione
Formula C27H33N3O8
Mw 527.22676505
CAS RN 1064063-52-0
C_ID C00059076
InChIKey JJLSZLCTSPLZGO-VQANTYRESA-N
InChICode InChI=1S/C27H33N3O8/c1-15(2)13-20-26(22(32)27(35)24(34)28-11-6-7-18(28)21(31)30(20)27)17-9-8-16(37-5)14-19(17)29(23(26)33)12-10-25(3,4)38-36/h8-10,12-14,18,20,22,32,35-36H,6-7,11H2,1-5H3/t18-,20-,22-,26-,27+/m0/s1
SMILES COc1ccc2c(c1)N(C=CC(C)(C)OO)C(=O)C21C(C=C(C)C)N2C(=O)C3CCCN3C(=O)C2(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
zoom in