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 [C@@H]12N3[C@]4(C[C@@]51[C@H]1CCN(C5)CCCC/C=C\CC[C@@]2(C=C1c1c2c(ccn1)c1c([nH]2)cccc1)O)CC[C@H]([C@H](CC3)O[C@@]12CC[C@@H](O4)[C@H](CCN1[C@@H]1[C@]3(C2)[C@@H]2C(=C[C@]1(CC/C=C\CCCCN(CC2)C3)O)c1c2c(ccn1)c1c([nH]2)cccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Acanthostrongylophora sp. Ref.
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