input word = C00056500

Metabolite InformationStructural formula
Name Kuguacin I
Formula C31H46O5
Mw 498.33452458
CAS RN 1141453-63-5
C_ID C00056500
InChIKey CSPNLDSXDHBSTP-XMTUHQLDSA-N
InChICode InChI=1S/C31H46O5/c1-18(2)15-20(32)16-19(3)21-11-12-29(7)25-22(33)17-31-23(9-10-24(34)27(31,4)5)30(25,26(35-8)36-31)14-13-28(21,29)6/h15,19,21,23,25-26H,9-14,16-17H2,1-8H3/t19-,21-,23?,25+,26-,28-,29+,30-,31-/m1/s1
SMILES CO[C@@H]1O[C@]23CC(=O)[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]41C)C2CCC(=O)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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