input word = C00023569

Metabolite InformationStructural formula
Name Secopenitrem B
Formula C37H47NO5
Mw 585.34542362
CAS RN 139975-54-5
C_ID C00023569 ,
InChIKey RXIIMUUHXDIUNS-UXNZRRJTNA-N
InChICode InChI=1S/C37H47NO5/c1-17(2)30-29(39)32-37(43-32)25(42-30)11-12-34(6)35(7)20(10-13-36(34,37)41)15-22-28-24(38-31(22)35)9-8-19-14-18(3)21-16-23(33(4,5)40)27(21)26(19)28/h8-9,20-21,23,25,27,29-30,32,38-41H,1,3,10-16H2,2,4-7H3/t20-,21+,23-,25-,27+,29-,30+,32?,34+,35+,36-,37+/m0/s1
SMILES c12ccc3c(c1[C@@H]1[C@@H](C(=C)C2)C[C@@H]1C(C)(C)O)c1c([nH]3)[C@]2([C@H](C1)CC[C@@]1([C@@]2(CC[C@H]2[C@]31[C@@H]([C@H]([C@H](O2)C(=C)C)O)O3)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus sulphureus NRRL 4077 Ref.
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