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 O=C1C(C)(C)[C@](CC([C@]2([H])[C@@]34CC[C@@]5(C)[C@@]2(C)CC[C@]5([H])[C@H](C)CC(/C=C(C)/C)=O)=O)(O[C@H]4OC)C3CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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