input word = C00048613

Metabolite InformationStructural formula
Name Arthrichitin
Formula C33H46N4O9
Mw 642.3264791
CAS RN 185377-91-7
C_ID C00048613 ,
InChIKey VNRAPWIEXZLTKI-NQWWHDPGNA-N
InChICode InChI=1S/C33H46N4O9/c1-4-5-6-7-8-9-12-19(2)29-20(3)30(42)35-24(15-16-26(39)40)31(43)37-27(32(44)36-25(18-38)33(45)46-29)28(41)22-17-34-23-14-11-10-13-21(22)23/h10-11,13-14,17,19-20,24-25,27,29,34,38H,4-9,12,15-16,18H2,1-3H3,(H,35,42)(H,36,44)(H,37,43)(H,39,40)/t19-,20+,24-,25+,27+,29+/m1/s1
SMILES CCCCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](CO)NC(=O)[C@H](C(=O)c2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiLasiosphaeriaceaeArthrinium phaeospermum Ref.
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