input word = C00039667

Metabolite InformationStructural formula
Name Luperoside L
Formula C75H118O40
Mw 1658.71993866
CAS RN 124761-34-8
C_ID C00039667 ,
InChIKey XKSAAYPBAFUXBE-UHFFFAOYNA-N
InChICode InChI=1S/C75H118O40/c1-25-38(82)43(87)48(92)64(103-25)111-55-39(83)26(2)104-67(58(55)113-65-50(94)45(89)53(27(3)105-65)108-63-52(96)54(32(80)23-102-63)109-61-46(90)40(84)30(78)21-100-61)115-69(99)75-17-16-70(4,5)18-29(75)28-10-11-35-71(6)14-13-37(72(7,24-77)34(71)12-15-73(35,8)74(28,9)19-36(75)81)107-68-59(114-66-49(93)44(88)42(86)33(20-76)106-66)56(51(95)57(112-68)60(97)98)110-62-47(91)41(85)31(79)22-101-62/h10,24-27,29-59,61-68,76,78-96H,11-23H2,1-9H3,(H,97,98)/t25-,26+,27-,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,47+,48+,49-,50+,51+,52-,53+,54+,55-,56+,57-,58+,59-,61+,62-,63+,64-,65-,66+,67+,68-,71+,72+,73-,74+,75+/m1/s1
SMILES C1[C@@H]([C@]([C@@H]2[C@](C1)([C@H]1[C@@](CC2)([C@@]2(C(=CC1)[C@@H]1[C@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)O)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C)O)C)C)C)C)(C=O)C)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O[C@@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeLuffa operculata Ref.
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OrganismLuffa operculata
ReferenceTan,Phytochem.,52,(1999),153