input word = C00041690

Metabolite InformationStructural formula
Name neo-Kauluamine
Formula C72H88N8O6
Mw 1160.6826826
CAS RN 334491-54-2
C_ID C00041690 ,
InChIKey QNWBBGISMLEXSK-CMAIKFGHNA-N
InChICode InChI=1S/C72H88N8O6/c81-57-21-31-71-43-67-45-77-35-15-7-4-2-6-14-30-70(84,42-52(53(67)25-37-77)62-64-50(24-34-74-62)48-18-10-12-20-56(48)76-64)66(67)80(71)40-28-60(57)86-72-32-22-59(85-71)58(82)27-39-79(72)65-68(44-72)46-78-36-16-8-3-1-5-13-29-69(65,83)41-51(54(68)26-38-78)61-63-49(23-33-73-61)47-17-9-11-19-55(47)75-63/h1-2,5-6,9-12,17-20,23-24,33-34,41-42,53-54,57-60,65-66,75-76,81-84H,3-4,7-8,13-16,21-22,25-32,35-40,43-46H2/b5-1-,6-2-/t53-,54-,57+,58-,59+,60-,65+,66+,67-,68-,69-,70-,71+,72+/m0/s1
SMILES OC1CCC23C[C@]45CN6CCCC/C=CCC[C@](O)(C=C(c7nccc8c7[nH]c7ccccc78)[C@@H]4CC6)[C@@H]5N2CCC1O[C@@]12CC[C@@H](O3)[C@@H](O)CCN1[C@@H]1[C@]3(CN4CCCC/C=CCC[C@]1(O)C=C(c1nccc5c1[nH]c1ccccc15)[C@@H]3CC4)C2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Acanthostrongylophora sp. Ref.
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