input word = C00053396

Metabolite InformationStructural formula
Name Karavoate I
Formula C38H55NO6
Mw 621.4029385
CAS RN 1269766-61-1
C_ID C00053396
InChIKey NNEMUGGPIKMKLT-UUDKRSAZSA-N
InChICode InChI=1S/C38H55NO6/c1-23(2)20-27(45-34(41)25-10-12-26(13-11-25)39(42)43)21-24(3)28-16-17-38(8)33-31(44-9)22-30-29(14-15-32(40)35(30,4)5)36(33,6)18-19-37(28,38)7/h10-13,20,22,24,27-29,31-33,40H,14-19,21H2,1-9H3/t24-,27+,28-,29-,31+,32+,33-,36+,37-,38+/m1/s1
SMILES CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@@]3(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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