input word = C00049646

Metabolite InformationStructural formula
Name Isopsychotridine B
Formula C55H62O10
Mw 882.4342982
CAS RN 112295-91-7
C_ID C00049646 ,
InChIKey FULWLJOIKDTPIZ-UHFFFAOYNA-N
InChICode InChI=1S/C55H62N10/c1-61-28-23-51(33-13-6-8-21-41(33)56-46(51)61)35-15-10-16-36-43(35)58-47-52(36,24-29-62(47)2)37-17-11-18-38-44(37)59-48-53(38,25-30-63(48)3)39-19-12-20-40-45(39)60-50-55(40,27-32-65(50)5)54-26-31-64(4)49(54)57-42-22-9-7-14-34(42)54/h6-22,46-50,56-60H,23-32H2,1-5H3/t46-,47-,48-,49-,50-,51-,52-,53-,54+,55+/m1/s1
SMILES [C@@]12([C@H](Nc3c1cccc3)N(CC2)C)c1c2N[C@H]3[C@@](c2ccc1)(CCN3C)c1c2N[C@H]3[C@@](c2ccc1)(CCN3C)c1c2N[C@H]3[C@@](c2ccc1)(CCN3C)[C@]12[C@H](Nc3c1cccc3)N(CC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePsychotria oleoides Ref.
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OrganismPsychotria oleoides
ReferenceJannic,J.Nat.Prod.,62,(1999),838