input word = C00028805

Metabolite InformationStructural formula
Name Paspaline B
Formula C28H37NO3
Mw 435.27734405
CAS RN 173268-84-3
C_ID C00028805 ,
InChIKey AYNSNFZADBZRGD-UHFFFAOYNA-N
InChICode InChI=1S/C28H37NO3/c1-25(2,31)22-12-14-28(16-30)21-10-9-17-15-19-18-7-5-6-8-20(18)29-24(19)27(17,4)26(21,3)13-11-23(28)32-22/h5-8,16-17,21-23,29,31H,9-15H2,1-4H3/t17-,21+,22-,23-,26+,27-,28+/m1/s1
SMILES c1ccc2c(c1)[nH]c1c2C[C@@H]2[C@]1([C@@]1([C@H](CC2)[C@@]2([C@@H](CC1)O[C@H](CC2)C(C)(O)C)C=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium paxilli Ref.
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