input word = C00060007

Metabolite InformationStructural formula
Name (3S,8aS)-3-[[(2S,3S)-2,3-Dihydro-2,3-dihydroxy-6-methoxy-2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
Formula C22H29N3O5
Mw 415.21072106
CAS RN 1474012-02-6
C_ID C00060007
InChIKey WDCWQDOJWRMQJI-GPHNJDIKSA-N
InChICode InChI=1S/C22H29N3O5/c1-13(2)8-9-22(29)21(28,15-7-6-14(30-3)11-16(15)24-22)12-17-20(27)25-10-4-5-18(25)19(26)23-17/h6-8,11,17-18,24,28-29H,4-5,9-10,12H2,1-3H3,(H,23,26)/t17-,18-,21-,22-/m0/s1
SMILES COc1ccc2c(c1)NC(O)(CC=C(C)C)C2(O)CC1NC(=O)C2CCCN2C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
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